![methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate structure](/static/products/879/879765-72-7.png)
methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
TL;DR: methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate (CAS 879765-72-7) is a chemical compound with molecular formula C18H12ClNO5 and molecular weight 357.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chloro-2-[(1-oxoisochromene-3-carbonyl)amino]benzoate
Also Known As: methyl 4-chloro-2-[(1-oxoisochromene-3-carbonyl)amino]benzoate, methyl 4-chloro-2-(1-oxo-1H-isochromene-3-carboxamido)benzoate, methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
| Molecular Formula | C18H12ClNO5 |
|---|---|
| Molecular Weight | 357.04 g/mol |
| LogP | 3.4853 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.0404 |
| Heavy Atoms | 25 |
| Complexity | 1041.061 |
Chemical Identifiers
| CAS Number | 879765-72-7 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C(=O)O2 |
Product Overview
methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate (CAS 879765-72-7), with molecular formula C18H12ClNO5 and molecular weight 357.04 g/mol. IUPAC: methyl 4-chloro-2-[(1-oxoisochromene-3-carbonyl)amino]benzoate.
Chemical Property Profile of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
Property Insights of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate
The XLogP value of 3.4853 indicates that methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}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 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The CAS number of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is 879765-72-7.
What is the molecular formula of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is C18H12ClNO5.
What is the molecular weight of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate is 357.04 g/mol.
Where can I buy methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-chloro-2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.