4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-
TL;DR: 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- (CAS 173469-73-3) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-4-oxo-2-phenylchromen-6-yl)butanoic acid
Also Known As: 2-(3-Methyl-2-phenylchromon-6-yl)butanoic acid, 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-, alpha-Ethyl-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-acetic acid, 2-(3-methyl-4-oxo-2-phenylchromen-6-yl)butanoic acid, 2-(3-Methyl-4-oxo-2-phenyl-4H-1-benzopyran-6-yl)butanoic acid
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.34662 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 954.52997 |
Chemical Identifiers
| CAS Number | 173469-73-3 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OC(=C(C2=O)C)C3=CC=CC=C3)C(=O)O |
Product Overview
4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- (CAS 173469-73-3), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: 2-(3-methyl-4-oxo-2-phenylchromen-6-yl)butanoic acid.
Chemical Property Profile of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-
Property Insights of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-
The XLogP value of 4.34662 indicates that 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- has 1 hydrogen bond donor(s) and 3 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 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-?
The CAS number of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- is 173469-73-3.
What is the molecular formula of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-?
The molecular formula of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- is C20H18O4.
What is the molecular weight of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-?
The molecular weight of 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- is 322.12 g/mol.
Where can I buy 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-?
You can request a quote for 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-6-acetic acid, alpha-ethyl-3-methyl-4-oxo-2-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.