![3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester structure](/static/products/3025/302559-63-3.webp)
3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester
TL;DR: 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester (CAS 302559-63-3) is a chemical compound with molecular formula C18H13NO5 and molecular weight 323.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2-oxochromene-3-carbonyl)amino]benzoate
Also Known As: UPCMLD0ENAT5714056:001, BAS 00558068, methyl 3-(2-oxo-2H-chromene-3-amido)benzoate, AE-641/10068008, methyl 3-(2-oxo-2H-chromene-3-carboxamido)benzoate
| Molecular Formula | C18H13NO5 |
|---|---|
| Molecular Weight | 323.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.07938 |
| Heavy Atoms | 24 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 302559-63-3 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
| InChIKey | SOUSDHKZTMCUMJ-UHFFFAOYSA-N |
Product Overview
3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester (CAS 302559-63-3), with molecular formula C18H13NO5 and molecular weight 323.08 g/mol. IUPAC: methyl 3-[(2-oxochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester
Property Insights of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester has 1 hydrogen bond donor(s) and 5 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 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester?
The CAS number of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester is 302559-63-3.
What is the molecular formula of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester?
The molecular formula of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester is C18H13NO5.
What is the molecular weight of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester?
The molecular weight of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester is 323.08 g/mol.
Where can I buy 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester?
You can request a quote for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.