![4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid structure](/static/products/853/853890-30-9.png)
4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid
TL;DR: 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid (CAS 853890-30-9) 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.
4-[(7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid
Also Known As: 4-(7-methyl-1-oxoisochroman-3-carboxamido)benzoic acid, 4-[(7-methyl-1-oxo-isochroman-3-carbonyl)amino]benzoic Acid, 4-[(7-methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid, 4-[(7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid, 4-(7-METHYL-1-OXO-3,4-DIHYDRO-1H-2-BENZOPYRAN-3-AMIDO)BENZOIC ACID
| Molecular Formula | C18H15NO5 |
|---|---|
| Molecular Weight | 325.10 g/mol |
| LogP | 2.41342 |
| 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 | 825.8028 |
Chemical Identifiers
| CAS Number | 853890-30-9 |
|---|---|
| SMILES | CC1=CC2=C(CC(OC2=O)C(=O)NC3=CC=C(C=C3)C(=O)O)C=C1 |
Product Overview
4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid (CAS 853890-30-9), with molecular formula C18H15NO5 and molecular weight 325.10 g/mol. IUPAC: 4-[(7-methyl-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid
Property Insights of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid
The XLogP value of 2.41342 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(7-Methyl-1-oxoisochroman-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-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid?
The CAS number of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid is 853890-30-9.
What is the molecular formula of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid?
The molecular formula of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid is C18H15NO5.
What is the molecular weight of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid?
The molecular weight of 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid is 325.10 g/mol.
Where can I buy 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid?
You can request a quote for 4-[(7-Methyl-1-oxoisochroman-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-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(7-Methyl-1-oxoisochroman-3-yl)carbonylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.