![4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid structure](/static/products/853/853891-44-8.png)
4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid
TL;DR: 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid (CAS 853891-44-8) is a chemical compound with molecular formula C17H11NO5 and molecular weight 309.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-oxoisochromene-3-carbonyl)amino]benzoic acid
Also Known As: 4-[(1-oxoisochromene-3-carbonyl)amino]benzoic Acid, 4-(1-oxo-1H-isochromene-3-carboxamido)benzoic acid, 4-(1-OXO-1H-ISOCHROMENE-3-AMIDO)BENZOIC ACID, 4-[(1-oxoisochromen-3-yl)carbonylamino]benzoic acid, 4-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
| Molecular Formula | C17H11NO5 |
|---|---|
| Molecular Weight | 309.06 g/mol |
| LogP | 2.7435 |
| Topological Polar Surface Area | 96.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.06372 |
| Heavy Atoms | 23 |
| Complexity | 956.6297 |
Chemical Identifiers
| CAS Number | 853891-44-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(OC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid (CAS 853891-44-8), with molecular formula C17H11NO5 and molecular weight 309.06 g/mol. IUPAC: 4-[(1-oxoisochromene-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid
Property Insights of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid
The XLogP value of 2.7435 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid. The TPSA of 96.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid has 2 hydrogen bond donor(s) and 4 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 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid?
The CAS number of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid is 853891-44-8.
What is the molecular formula of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid?
The molecular formula of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid is C17H11NO5.
What is the molecular weight of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid?
The molecular weight of 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid is 309.06 g/mol.
Where can I buy 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid?
You can request a quote for 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1-Oxoisochromen-3-yl)carbonylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.