Fencibutirol
TL;DR: Fencibutirol (CAS 5977-10-6) is a chemical compound with molecular formula C16H22O3 and molecular weight 262.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxy-4-phenylcyclohexyl)butanoic acid
Also Known As: Fencibutirol, Verecolene, Fencibutirolum, biligen, fencibutirrolo
| Molecular Formula | C16H22O3 |
|---|---|
| Molecular Weight | 262.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 262.1569 |
| Heavy Atoms | 19 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 5977-10-6 |
|---|---|
| SMILES | CCC(C(=O)O)C1(CCC(CC1)C2=CC=CC=C2)O |
| InChIKey | HPLFQKUIHGZHPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fencibutirol (CAS 5977-10-6), with molecular formula C16H22O3 and molecular weight 262.16 g/mol. IUPAC: 2-(1-hydroxy-4-phenylcyclohexyl)butanoic acid.
Chemical Property Profile of Fencibutirol
Property Insights of Fencibutirol
The XLogP value of 3.4 indicates that Fencibutirol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, Fencibutirol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fencibutirol 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 Fencibutirol?
The CAS number of Fencibutirol is 5977-10-6.
What is the molecular formula of Fencibutirol?
The molecular formula of Fencibutirol is C16H22O3.
What is the molecular weight of Fencibutirol?
The molecular weight of Fencibutirol is 262.16 g/mol.
Where can I buy Fencibutirol?
You can request a quote for Fencibutirol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fencibutirol?
Yes, KEHONG BIO provides custom synthesis services for Fencibutirol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.