4-Cholesten-3beta-ol
TL;DR: 4-Cholesten-3beta-ol (CAS 5462-48-6) is a chemical compound with molecular formula C27H46O and molecular weight 386.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Allocholesterol, Allocholesterin, Coprostenol, Cholest-4-en-3-ol, 4:5-Coprosten-3-ol
| Molecular Formula | C27H46O |
|---|---|
| Molecular Weight | 386.35 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.35486 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 5462-48-6 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4=CC(CCC34C)O)C |
| InChIKey | UIMGHSAOLFTOBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cholesten-3beta-ol (CAS 5462-48-6), with molecular formula C27H46O and molecular weight 386.35 g/mol. IUPAC: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 4-Cholesten-3beta-ol
Property Insights of 4-Cholesten-3beta-ol
The XLogP value of 8.6 indicates that 4-Cholesten-3beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Cholesten-3beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cholesten-3beta-ol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Cholesten-3beta-ol?
The CAS number of 4-Cholesten-3beta-ol is 5462-48-6.
What is the molecular formula of 4-Cholesten-3beta-ol?
The molecular formula of 4-Cholesten-3beta-ol is C27H46O.
What is the molecular weight of 4-Cholesten-3beta-ol?
The molecular weight of 4-Cholesten-3beta-ol is 386.35 g/mol.
Where can I buy 4-Cholesten-3beta-ol?
You can request a quote for 4-Cholesten-3beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cholesten-3beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-Cholesten-3beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.