rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
TL;DR: rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid (CAS 57808-63-6) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
Also Known As: Cicloxilic acid, Cycloxilic acid, Plecton, Acido cicloxilico, Acide cicloxilique
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 57808-63-6 |
|---|---|
| SMILES | C1CC[C@@]([C@H](C1)C(=O)O)(C2=CC=CC=C2)O |
| InChIKey | VCZPUGSOJXZKIP-YPMHNXCESA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid (CAS 57808-63-6), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: cis-(1S,2R)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid.
Chemical Property Profile of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
Property Insights of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 57.5 Ų, rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid has 2 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 rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid?
The CAS number of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid is 57808-63-6.
What is the molecular formula of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid?
The molecular formula of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid is C13H16O3.
What is the molecular weight of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid?
The molecular weight of rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid is 220.11 g/mol.
Where can I buy rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid?
You can request a quote for rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for rel-(1R,2S)-2-Hydroxy-2-phenylcyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.