![methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate structure](/static/products/850/850591-39-8.png)
methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
TL;DR: methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate (CAS 850591-39-8) is a chemical compound with molecular formula C20H16ClNO6 and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
Also Known As: methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate, methyl 4-(2-((6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetamido)benzoate, methyl 4-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate
| Molecular Formula | C20H16ClNO6 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 3.55892 |
| Topological Polar Surface Area | 94.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.06662 |
| Heavy Atoms | 28 |
| Complexity | 1104.1193 |
Chemical Identifiers
| CAS Number | 850591-39-8 |
|---|---|
| SMILES | CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OCC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate (CAS 850591-39-8), with molecular formula C20H16ClNO6 and molecular weight 401.07 g/mol. IUPAC: methyl 4-[[2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
Property Insights of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate
The XLogP value of 3.55892 indicates that methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 6 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-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate is 850591-39-8.
What is the molecular formula of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate is C20H16ClNO6.
What is the molecular weight of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate is 401.07 g/mol.
Where can I buy methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}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-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.