3-(2-Oxo-1-phenylcyclohexyl)butanoic acid
TL;DR: 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid (CAS 788-56-7) is a chemical compound with molecular formula C16H20O3 and molecular weight 260.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxo-1-phenylcyclohexyl)butanoic acid
Also Known As: Hsac-phe-leu, 3-(2-oxo-1-phenylcyclohexyl)butanoic acid, 2-Mercaptoacetyl-phenylalanylleucine, Acido 2-fenilcicloessanon-2-beta-butirrico, beta-Methyl-2-oxo-1-phenylcyclohexanepropionic acid
| Molecular Formula | C16H20O3 |
|---|---|
| Molecular Weight | 260.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.14124 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 788-56-7 |
|---|---|
| SMILES | CC(CC(=O)O)C1(CCCCC1=O)C2=CC=CC=C2 |
| InChIKey | KGQKCKNIGGRZJO-UHFFFAOYSA-N |
Product Overview
3-(2-Oxo-1-phenylcyclohexyl)butanoic acid (CAS 788-56-7), with molecular formula C16H20O3 and molecular weight 260.14 g/mol. IUPAC: 3-(2-oxo-1-phenylcyclohexyl)butanoic acid.
Chemical Property Profile of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid
Property Insights of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid 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 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid?
The CAS number of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid is 788-56-7.
What is the molecular formula of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid?
The molecular formula of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid is C16H20O3.
What is the molecular weight of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid?
The molecular weight of 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid is 260.14 g/mol.
Where can I buy 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid?
You can request a quote for 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxo-1-phenylcyclohexyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.