2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester
TL;DR: 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester (CAS 676348-60-0) is a chemical compound with molecular formula C18H16O4 and molecular weight 296.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxo-2-(4-phenylbenzoyl)butanoate
Also Known As: Not Available, Methyl 3-oxo-2-(4-phenylbenzoyl)butanoate, 2-(biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester, 2-(BIPHENYL-4-CARBONYL)-3-OXO-BUTYRIC ACID METHYLESTER
| Molecular Formula | C18H16O4 |
|---|---|
| Molecular Weight | 296.10 g/mol |
| LogP | 2.9145 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 296.10486 |
| Heavy Atoms | 22 |
| Complexity | 686.7869 |
Chemical Identifiers
| CAS Number | 676348-60-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OC |
Product Overview
2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester (CAS 676348-60-0), with molecular formula C18H16O4 and molecular weight 296.10 g/mol. IUPAC: methyl 3-oxo-2-(4-phenylbenzoyl)butanoate.
Chemical Property Profile of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester
Property Insights of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester
The XLogP value of 2.9145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester. Following Lipinski's Rule of Five, 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid 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 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester?
The CAS number of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester is 676348-60-0.
What is the molecular formula of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester?
The molecular formula of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester is C18H16O4.
What is the molecular weight of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester?
The molecular weight of 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester is 296.10 g/mol.
Where can I buy 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester?
You can request a quote for 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(Biphenyl-4-carbonyl)-3-oxo-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.