(2-Oxo-1-phenylcyclohexyl)acetic acid
TL;DR: (2-Oxo-1-phenylcyclohexyl)acetic acid (CAS 3645-89-4) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-1-phenylcyclohexyl)acetic acid
Also Known As: 2- aceticacid, 2-Oxo-1-phenylcyclohexaneacetic acid, 2-(2-oxo-1-phenylcyclohexyl)acetic acid, Cyclohexaneacetic acid, 2-oxo-1-phenyl-, Cyclohexaneacetic acid,2-oxo-1-phenyl-
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3645-89-4 |
|---|---|
| SMILES | C1CCC(C(=O)C1)(CC(=O)O)C2=CC=CC=C2 |
| InChIKey | VIKJTJUHWIWYNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Oxo-1-phenylcyclohexyl)acetic acid (CAS 3645-89-4), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-(2-oxo-1-phenylcyclohexyl)acetic acid.
Chemical Property Profile of (2-Oxo-1-phenylcyclohexyl)acetic acid
Property Insights of (2-Oxo-1-phenylcyclohexyl)acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Oxo-1-phenylcyclohexyl)acetic acid. With a topological polar surface area (TPSA) of 54.4 Ų, (2-Oxo-1-phenylcyclohexyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Oxo-1-phenylcyclohexyl)acetic 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 (2-Oxo-1-phenylcyclohexyl)acetic acid?
The CAS number of (2-Oxo-1-phenylcyclohexyl)acetic acid is 3645-89-4.
What is the molecular formula of (2-Oxo-1-phenylcyclohexyl)acetic acid?
The molecular formula of (2-Oxo-1-phenylcyclohexyl)acetic acid is C14H16O3.
What is the molecular weight of (2-Oxo-1-phenylcyclohexyl)acetic acid?
The molecular weight of (2-Oxo-1-phenylcyclohexyl)acetic acid is 232.11 g/mol.
Where can I buy (2-Oxo-1-phenylcyclohexyl)acetic acid?
You can request a quote for (2-Oxo-1-phenylcyclohexyl)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-Oxo-1-phenylcyclohexyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Oxo-1-phenylcyclohexyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.