Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate
TL;DR: Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate (CAS 173469-85-7) is a chemical compound with molecular formula C21H19ClO5 and molecular weight 386.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(4-chlorophenyl)-3-methoxy-4-oxochromen-6-yl]butanoate
Also Known As: Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate, methyl 2-[2-(4-chlorophenyl)-3-methoxy-4-oxochromen-6-yl]butanoate, 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-, methyl ester, 4H-1-Benzopyran-6-aceticacid, 2-(4-chlorophenyl)-a-ethyl-3-methoxy-4-oxo-, methyl ester, 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-3-methox y-4-oxo-, methyl ester
| Molecular Formula | C21H19ClO5 |
|---|---|
| Molecular Weight | 386.09 g/mol |
| LogP | 4.7886 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.0921 |
| Heavy Atoms | 27 |
| Complexity | 1036.8616 |
Chemical Identifiers
| CAS Number | 173469-85-7 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)Cl)C(=O)OC |
Product Overview
Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate (CAS 173469-85-7), with molecular formula C21H19ClO5 and molecular weight 386.09 g/mol. IUPAC: methyl 2-[2-(4-chlorophenyl)-3-methoxy-4-oxochromen-6-yl]butanoate.
Chemical Property Profile of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate
Property Insights of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate
The XLogP value of 4.7886 indicates that Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate. Following Lipinski's Rule of Five, Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate has 0 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-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate?
The CAS number of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate is 173469-85-7.
What is the molecular formula of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate?
The molecular formula of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate is C21H19ClO5.
What is the molecular weight of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate?
The molecular weight of Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate is 386.09 g/mol.
Where can I buy Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate?
You can request a quote for Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.