Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester
TL;DR: Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester (CAS 36568-12-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,5-dioxo-5-phenylpentanoate
Also Known As: Methyl 3,5-dioxo-5-phenylpentanoate, Methyl 3,5-dioxo-5-phenylpentanoate #, 3,5-Dioxo-5-phenylvaleric acid methyl ester, Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester, Benzenepentanoic acid, .beta.,.delta.-dioxo-, methyl ester
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 36568-12-4 |
|---|---|
| SMILES | COC(=O)CC(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | JENTWHKZLXBMNF-UHFFFAOYSA-N |
Product Overview
Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester (CAS 36568-12-4), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: methyl 3,5-dioxo-5-phenylpentanoate.
Chemical Property Profile of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester
Property Insights of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester. Following Lipinski's Rule of Five, Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester has 0 hydrogen bond donor(s) and 4 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 Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester?
The CAS number of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester is 36568-12-4.
What is the molecular formula of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester?
The molecular formula of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester is C12H12O4.
What is the molecular weight of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester?
The molecular weight of Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester is 220.07 g/mol.
Where can I buy Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester?
You can request a quote for Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Valeric acid, 5-phenyl-3,5-dioxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.