methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate
TL;DR: methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate (CAS 900899-67-4) is a chemical compound with molecular formula C19H16ClNO5 and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate, Methyl 2-[(6-chloro-3-methyl-1-oxo-isochroman-3-carbonyl)amino]benzoate, methyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate, methyl 2-{[(6-chloro-3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}benzoate
| Molecular Formula | C19H16ClNO5 |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 3.2369 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.0717 |
| Heavy Atoms | 26 |
| Complexity | 910.55255 |
Chemical Identifiers
| CAS Number | 900899-67-4 |
|---|---|
| SMILES | CC1(CC2=C(C=CC(=C2)Cl)C(=O)O1)C(=O)NC3=CC=CC=C3C(=O)OC |
Product Overview
methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate (CAS 900899-67-4), with molecular formula C19H16ClNO5 and molecular weight 373.07 g/mol. IUPAC: methyl 2-[(6-chloro-3-methyl-1-oxo-4H-isochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate
Property Insights of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate
The XLogP value of 3.2369 indicates that methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(6-chloro-3-methyl-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-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate?
The CAS number of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate is 900899-67-4.
What is the molecular formula of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate?
The molecular formula of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate is C19H16ClNO5.
What is the molecular weight of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate?
The molecular weight of methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate is 373.07 g/mol.
Where can I buy methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate?
You can request a quote for methyl 2-(6-chloro-3-methyl-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-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(6-chloro-3-methyl-1-oxoisochroman-3-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.