methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate
TL;DR: methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate (CAS 902030-85-7) is a chemical compound with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5-dimethoxybenzoate
Also Known As: methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate, methyl 2-[(6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5-dimethoxybenzoate, Methyl 2-[(6-chloro-1-oxo-isochroman-3-carbonyl)amino]-4,5-dimethoxy-benzoate, methyl 2-{[(6-chloro-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5-dimethoxybenzoate
| Molecular Formula | C20H18ClNO7 |
|---|---|
| Molecular Weight | 419.08 g/mol |
| LogP | 2.864 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.07718 |
| Heavy Atoms | 29 |
| Complexity | 989.0353 |
Chemical Identifiers
| CAS Number | 902030-85-7 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2CC3=C(C=CC(=C3)Cl)C(=O)O2)OC |
Product Overview
methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate (CAS 902030-85-7), with molecular formula C20H18ClNO7 and molecular weight 419.08 g/mol. IUPAC: methyl 2-[(6-chloro-1-oxo-3,4-dihydroisochromene-3-carbonyl)amino]-4,5-dimethoxybenzoate.
Chemical Property Profile of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate
Property Insights of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate
The XLogP value of 2.864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate. Following Lipinski's Rule of Five, methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate has 1 hydrogen bond donor(s) and 7 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-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate?
The CAS number of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate is 902030-85-7.
What is the molecular formula of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate?
The molecular formula of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate is C20H18ClNO7.
What is the molecular weight of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate?
The molecular weight of methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate is 419.08 g/mol.
Where can I buy methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate?
You can request a quote for methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(6-chloro-1-oxoisochroman-3-carboxamido)-4,5-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.