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20825-89-2,MFCD00276310
Catalog No.:AA002JJ7

20825-89-2 | 3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$34.00   $24.00
- +
1g
98%
in stock  
$89.00   $62.00
- +
5g
98%
in stock  
$265.00   $185.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$1,050.00   $735.00
- +
100g
98%
in stock  
$3,004.00   $2,103.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002JJ7
Chemical Name:
3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid
CAS Number:
20825-89-2
Molecular Formula:
C10H10O4
Molecular Weight:
194.1840
MDL Number:
MFCD00276310
SMILES:
OC(=O)c1ccc2c(c1)OCCCO2
Properties
Computed Properties
 
Complexity:
216  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.7  

Downstream Synthesis Route
20825-89-2    51639-48-6   
1-(4-(4-(3,4-dihydro-2H-benzob1,4dioxepine-7-carbonyl)-piperazin-1-yl)phenyl)ethanone 

[1]JournalofMedicinalChemistry,2017,vol.60,p.5507-5520

20825-89-2    1000343-59-8   
C18H17N3O3 

[1]Zhou,Yang;Liang,Yin-Qiu;Wang,Xin-Yu;Chang,Hao-Yun;Hu,Su-Pei;Sun,Juan[ChemicalandPharmaceuticalBulletin,2022,vol.70,#8,p.544-549]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:20825-89-2 Molecular Formula|20825-89-2 MDL|20825-89-2 SMILES|20825-89-2 3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid