1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester
TL;DR: 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester (CAS 64179-33-5) is a chemical compound with molecular formula C17H13NO6 and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate
Also Known As: 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester, Methyl 6-[(3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-2H-1,3-benzodioxole-5-carboxylate, methyl 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate, RefChem:217934
| Molecular Formula | C17H13NO6 |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 2.483 |
| Topological Polar Surface Area | 83.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.07428 |
| Heavy Atoms | 24 |
| Complexity | 846.96954 |
Chemical Identifiers
| CAS Number | 64179-33-5 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1NC3C4=CC=CC=C4C(=O)O3)OCO2 |
Product Overview
1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester (CAS 64179-33-5), with molecular formula C17H13NO6 and molecular weight 327.07 g/mol. IUPAC: methyl 6-[(3-oxo-1H-2-benzofuran-1-yl)amino]-1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester
Property Insights of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester
The XLogP value of 2.483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester. The TPSA of 83.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester?
The CAS number of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester is 64179-33-5.
What is the molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester?
The molecular formula of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester is C17H13NO6.
What is the molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester?
The molecular weight of 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester is 327.07 g/mol.
Where can I buy 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester?
You can request a quote for 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-carboxylic acid, 6-((1,3-dihydro-3-oxo-1-isobenzofuranyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.