Cholesta-5,7,9(11)-trien-3-ol, (3beta)-
TL;DR: Cholesta-5,7,9(11)-trien-3-ol, (3beta)- (CAS 51982-45-7) is a chemical compound with molecular formula C27H42O and molecular weight 382.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: Cholestatrienol, V-KhTE, Cholesterol Impurity 67, Cholesta-5,7,9(11)-trien-3beta-ol, Cholesta-5,7,9-trien-3beta-ol
| Molecular Formula | C27H42O |
|---|---|
| Molecular Weight | 382.32 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.32358 |
| Heavy Atoms | 28 |
| Complexity | 695.0 |
Chemical Identifiers
| CAS Number | 51982-45-7 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC=C3C2=CC=C4[C@@]3(CC[C@@H](C4)O)C)C |
| InChIKey | YQYYDLWKDGKMKI-BXAZICILSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholesta-5,7,9(11)-trien-3-ol, (3beta)- (CAS 51982-45-7), with molecular formula C27H42O and molecular weight 382.32 g/mol. IUPAC: (3S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of Cholesta-5,7,9(11)-trien-3-ol, (3beta)-
Property Insights of Cholesta-5,7,9(11)-trien-3-ol, (3beta)-
The XLogP value of 7.4 indicates that Cholesta-5,7,9(11)-trien-3-ol, (3beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Cholesta-5,7,9(11)-trien-3-ol, (3beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholesta-5,7,9(11)-trien-3-ol, (3beta)- 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 Cholesta-5,7,9(11)-trien-3-ol, (3beta)-?
The CAS number of Cholesta-5,7,9(11)-trien-3-ol, (3beta)- is 51982-45-7.
What is the molecular formula of Cholesta-5,7,9(11)-trien-3-ol, (3beta)-?
The molecular formula of Cholesta-5,7,9(11)-trien-3-ol, (3beta)- is C27H42O.
What is the molecular weight of Cholesta-5,7,9(11)-trien-3-ol, (3beta)-?
The molecular weight of Cholesta-5,7,9(11)-trien-3-ol, (3beta)- is 382.32 g/mol.
Where can I buy Cholesta-5,7,9(11)-trien-3-ol, (3beta)-?
You can request a quote for Cholesta-5,7,9(11)-trien-3-ol, (3beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholesta-5,7,9(11)-trien-3-ol, (3beta)-?
Yes, KEHONG BIO provides custom synthesis services for Cholesta-5,7,9(11)-trien-3-ol, (3beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.