![2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester structure](/static/products/7082/708283-88-9.webp)
2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester
TL;DR: 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester (CAS 708283-88-9) 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.
methyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate
Also Known As: BAS 09687637, 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester, methyl 2-(3-methyl-1-oxoisochroman-3-carboxamido)benzoate, methyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate, methyl 2-[(3-methyl-1-oxoisochroman-3-yl)carbonylamino]benzoate
| Molecular Formula | C19H17NO5 |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.5835 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.1107 |
| Heavy Atoms | 25 |
| Complexity | 860.3979 |
Chemical Identifiers
| CAS Number | 708283-88-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester (CAS 708283-88-9), with molecular formula C19H17NO5 and molecular weight 339.11 g/mol. IUPAC: methyl 2-[(3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester
Property Insights of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester
The XLogP value of 2.5835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester. Following Lipinski's Rule of Five, 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl 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 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester?
The CAS number of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester is 708283-88-9.
What is the molecular formula of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester?
The molecular formula of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester is C19H17NO5.
What is the molecular weight of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester?
The molecular weight of 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester is 339.11 g/mol.
Where can I buy 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester?
You can request a quote for 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester 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-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methyl-1-oxo-isochroman-3-carbonyl)-amino]-benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.