Cholestatrienyl oleate
TL;DR: Cholestatrienyl oleate (CAS 52664-12-7) is a chemical compound with molecular formula C45H74O2 and molecular weight 646.57 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-yl] (E)-octadec-9-enoate
Also Known As: Cholestatrienyl oleate, Cholesta-5,7,9(11)-trien-3-ol, 9-octadecenoate, (3beta(Z))-, Cholesta-5,7,9(11)-trien-3-ol,9-octadecenoate, [3b(Z)]- (9CI), [(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-yl] (E)-octadec-9-enoate, RefChem:125689
| Molecular Formula | C45H74O2 |
|---|---|
| Molecular Weight | 646.57 g/mol |
| LogP | 13.8173 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 646.5689 |
| Heavy Atoms | 47 |
| Complexity | 1089.2499 |
Chemical Identifiers
| CAS Number | 52664-12-7 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@]2(C(=CC=C3C2=CC[C@]4([C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)C)C1)C |
Product Overview
Cholestatrienyl oleate (CAS 52664-12-7), with molecular formula C45H74O2 and molecular weight 646.57 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-yl] (E)-octadec-9-enoate.
Chemical Property Profile of Cholestatrienyl oleate
Property Insights of Cholestatrienyl oleate
The XLogP value of 13.8173 indicates that Cholestatrienyl oleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholestatrienyl oleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholestatrienyl oleate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholestatrienyl oleate?
The CAS number of Cholestatrienyl oleate is 52664-12-7.
What is the molecular formula of Cholestatrienyl oleate?
The molecular formula of Cholestatrienyl oleate is C45H74O2.
What is the molecular weight of Cholestatrienyl oleate?
The molecular weight of Cholestatrienyl oleate is 646.57 g/mol.
Where can I buy Cholestatrienyl oleate?
You can request a quote for Cholestatrienyl oleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestatrienyl oleate?
Yes, KEHONG BIO provides custom synthesis services for Cholestatrienyl oleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.