4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid
TL;DR: 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid (CAS 901270-67-5) is a chemical compound with molecular formula C19H17NO5 and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid
Also Known As: 4-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid, 4-[(3,6-dimethyl-1-oxo-isochroman-3-carbonyl)amino]benzoic Acid, 4-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid
| Molecular Formula | C19H17NO5 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.80352 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1107 |
| Heavy Atoms | 25 |
| Complexity | 871.88324 |
Chemical Identifiers
| CAS Number | 901270-67-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=C(C=C3)C(=O)O |
Product Overview
4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid (CAS 901270-67-5), with molecular formula C19H17NO5 and molecular weight 339.11 g/mol. IUPAC: 4-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoic acid.
Chemical Property Profile of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid
Property Insights of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid
The XLogP value of 2.80352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)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-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid?
The CAS number of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid is 901270-67-5.
What is the molecular formula of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid?
The molecular formula of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid is C19H17NO5.
What is the molecular weight of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid?
The molecular weight of 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid is 339.11 g/mol.
Where can I buy 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid?
You can request a quote for 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)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-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,6-Dimethyl-1-oxoisochroman-3-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.