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1361229-77-7,MFCD22666193
Catalog No.:AA00HUEM

1361229-77-7 | Methyl 4-(5-amino-1,3,4-oxadiazol-2-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$368.00   $258.00
- +
250mg
95%
in stock  
$601.00   $421.00
- +
1g
95%
in stock  
$1,268.00   $888.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HUEM
Chemical Name:
Methyl 4-(5-amino-1,3,4-oxadiazol-2-yl)benzoate
CAS Number:
1361229-77-7
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
MDL Number:
MFCD22666193
SMILES:
COC(=O)c1ccc(cc1)c1nnc(o1)N
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

Literature
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SDS
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Tags:1361229-77-7 Molecular Formula|1361229-77-7 MDL|1361229-77-7 SMILES|1361229-77-7 Methyl 4-(5-amino-1,3,4-oxadiazol-2-yl)benzoate
Catalog No.: AA00HUEM
1361229-77-7,MFCD22666193
1361229-77-7 | Methyl 4-(5-amino-1,3,4-oxadiazol-2-yl)benzoate
Pack Size： 100mg
Purity： 95%
in stock
$368.00 $258.00
Pack Size： 250mg
Purity： 95%
in stock
$601.00 $421.00
Pack Size： 1g
Purity： 95%
in stock
$1,268.00 $888.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00HUEM
Chemical Name: Methyl 4-(5-amino-1,3,4-oxadiazol-2-yl)benzoate
CAS Number: 1361229-77-7
Molecular Formula: C10H9N3O3
Molecular Weight: 219.1968
MDL Number: MFCD22666193
SMILES: COC(=O)c1ccc(cc1)c1nnc(o1)N
Properties
Complexity: 254  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.9  
Downstream Synthesis Route
1396774-37-0    1361229-77-7 

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

1361229-77-7    100-07-2    1361229-78-8 

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

1361229-77-7    100-07-2    1361229-79-9 

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

1571-08-0    1361229-77-7 

[1]Hou,Zengye;Nakanishi,Isao;Kinoshita,Takayoshi;Takei,Yoshinori;Yasue,Misato;Misu,Ryosuke;Suzuki,Yamato;Nakamura,Shinya;Kure,Tatsuhide;Ohno,Hiroaki;Murata,Katsumi;Kitaura,Kazuo;Hirasawa,Akira;Tsujimoto,Gozoh;Oishi,Shinya;Fujii,Nobutaka[JournalofMedicinalChemistry,2012,vol.55,#6,p.2899-2903]

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