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94084-75-0,MFCD09736739
Catalog No.:AA00IHUU

94084-75-0 | 4-(1H-Imidazol-1-ylmethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$22.00   $16.00
- +
1g
95%
in stock  
$62.00   $44.00
- +
5g
95%
in stock  
$250.00   $175.00
- +
10g
95%
in stock  
$393.00   $275.00
- +
25g
95%
in stock  
$774.00 $542.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IHUU
Chemical Name:
4-(1H-Imidazol-1-ylmethyl)benzoic acid
CAS Number:
94084-75-0
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD09736739
SMILES:
C1=CC(=CC=C1CN2C=CN=C2)C(=O)O
Properties
Computed Properties
 
Complexity:
225  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.1  

Downstream Synthesis Route

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.219-228

[1]JournalofMedicinalChemistry,1987,vol.30,p.1342-1347

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.219-228

4-Imidazol-1-ylmethyl-benzoylchloride 
  94084-75-0 

[1]JournalofMedicinalChemistry,1987,vol.30,p.1342-1347

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.719-722

Literature

Title: A structure-permeability study of small drug-like molecules.

Journal: Bioorganic & medicinal chemistry letters 20030224

Quotation Request
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SDS
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Tags:94084-75-0 Molecular Formula|94084-75-0 MDL|94084-75-0 SMILES|94084-75-0 4-(1H-Imidazol-1-ylmethyl)benzoic acid
Catalog No.: AA00IHUU
94084-75-0,MFCD09736739
94084-75-0 | 4-(1H-Imidazol-1-ylmethyl)benzoic acid
Pack Size： 250mg
Purity： 97%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 95%
in stock
$62.00 $44.00
Pack Size： 5g
Purity： 95%
in stock
$250.00 $175.00
Pack Size： 10g
Purity： 95%
in stock
$393.00 $275.00
Pack Size： 25g
Purity： 95%
in stock
$774.00 $542.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IHUU
Chemical Name: 4-(1H-Imidazol-1-ylmethyl)benzoic acid
CAS Number: 94084-75-0
Molecular Formula: C11H10N2O2
Molecular Weight: 202.2093
MDL Number: MFCD09736739
SMILES: C1=CC(=CC=C1CN2C=CN=C2)C(=O)O
Properties
Complexity: 225  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 15  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.1  
Downstream Synthesis Route
64-17-5    94084-75-0    56643-80-2 

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.219-228

101184-10-5    94084-75-0    108035-42-3 

[1]JournalofMedicinalChemistry,1987,vol.30,p.1342-1347

112809-54-8    94084-75-0 

[1]EuropeanJournalofMedicinalChemistry,1992,vol.27,p.219-228

4-Imidazol-1-ylmethyl-benzoylchloride 
  94084-75-0 

[1]JournalofMedicinalChemistry,1987,vol.30,p.1342-1347

288-32-4    6232-88-8    94084-75-0 

[1]BioorganicandMedicinalChemistryLetters,2003,vol.13,p.719-722

Literature fold

Title: A structure-permeability study of small drug-like molecules.

Journal: Bioorganic & medicinal chemistry letters20030224

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