Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate
TL;DR: Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate (CAS 902009-02-3) is a chemical compound with molecular formula C20H19NO5 and molecular weight 353.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate, methyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate
| Molecular Formula | C20H19NO5 |
|---|---|
| Molecular Weight | 353.13 g/mol |
| LogP | 2.89192 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.1263 |
| Heavy Atoms | 26 |
| Complexity | 904.8246 |
Chemical Identifiers
| CAS Number | 902009-02-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)C(=O)OC(C2)(C)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate (CAS 902009-02-3), with molecular formula C20H19NO5 and molecular weight 353.13 g/mol. IUPAC: methyl 2-[(3,6-dimethyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate
Property Insights of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate
The XLogP value of 2.89192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate. Following Lipinski's Rule of Five, Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate 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 Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate?
The CAS number of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate is 902009-02-3.
What is the molecular formula of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate?
The molecular formula of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate is C20H19NO5.
What is the molecular weight of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate?
The molecular weight of Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate is 353.13 g/mol.
Where can I buy Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate?
You can request a quote for Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3,6-dimethyl-1-oxoisochroman-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.