![3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester structure](/static/products/3013/301304-87-0.webp)
3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester
TL;DR: 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester (CAS 301304-87-0) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-[(2-oxochromene-3-carbonyl)amino]benzoate
Also Known As: BAS 00660552, BIM-0028164.P001, butyl 3-(2-oxo-2H-chromene-3-amido)benzoate, 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester, butyl 3-(2-oxo-2H-chromene-3-carboxamido)benzoate
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 4.0022 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 1037.9215 |
Chemical Identifiers
| CAS Number | 301304-87-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC(=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
Product Overview
3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester (CAS 301304-87-0), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: butyl 3-[(2-oxochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester
Property Insights of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester
The XLogP value of 4.0022 indicates that 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester. Following Lipinski's Rule of Five, 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl 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 butyl ester?
The CAS number of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester is 301304-87-0.
What is the molecular formula of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester?
The molecular formula of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester is C21H19NO5.
What is the molecular weight of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester?
The molecular weight of 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester is 365.13 g/mol.
Where can I buy 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester?
You can request a quote for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl 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 butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Oxo-2H-chromene-3-carbonyl)-amino]-benzoic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.