2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid
TL;DR: 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid (CAS 173469-90-4) is a chemical compound with molecular formula C26H21ClO5 and molecular weight 448.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxychromen-6-yl]butanoic acid
Also Known As: 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid, 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-, 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxychromen-6-yl]butanoic acid, 2-[3-(Benzyloxy)-2-(4-chlorophenyl)-4-oxo-4H-1-benzopyran-6-yl]butanoic acid, RefChem:297418
| Molecular Formula | C26H21ClO5 |
|---|---|
| Molecular Weight | 448.11 g/mol |
| LogP | 6.2706 |
| Topological Polar Surface Area | 76.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 448.10776 |
| Heavy Atoms | 32 |
| Complexity | 1310.1313 |
Chemical Identifiers
| CAS Number | 173469-90-4 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OC(=C(C2=O)OCC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)O |
Product Overview
2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid (CAS 173469-90-4), with molecular formula C26H21ClO5 and molecular weight 448.11 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-4-oxo-3-phenylmethoxychromen-6-yl]butanoic acid.
Chemical Property Profile of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid
Property Insights of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid
The XLogP value of 6.2706 indicates that 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid?
The CAS number of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid is 173469-90-4.
What is the molecular formula of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid?
The molecular formula of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid is C26H21ClO5.
What is the molecular weight of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid?
The molecular weight of 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid is 448.11 g/mol.
Where can I buy 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid?
You can request a quote for 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-4H-1-benzopyran-6-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.