![2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid structure](/static/products/864/864935-68-2.png)
2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
TL;DR: 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid (CAS 864935-68-2) is a chemical compound with molecular formula C18H15NO5 and molecular weight 325.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid
Also Known As: 2-(3-methyl-1-oxoisochroman-3-carboxamido)benzoic acid, 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid, 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid, 2-(3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)benzoic acid, 2-[(3-methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.4951 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.09503 |
| Heavy Atoms | 24 |
| Complexity | 844.8077 |
Chemical Identifiers
| CAS Number | 864935-68-2 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)O |
Product Overview
2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid (CAS 864935-68-2), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
Property Insights of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid
The XLogP value of 2.4951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid. Following Lipinski's Rule of Five, 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}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 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The CAS number of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is 864935-68-2.
What is the molecular formula of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The molecular formula of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is C18H15NO5.
What is the molecular weight of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
The molecular weight of 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid is 325.10 g/mol.
Where can I buy 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
You can request a quote for 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.