25-Hydroxycholesteryl oleate
TL;DR: 25-Hydroxycholesteryl oleate (CAS 68947-34-2) is a chemical compound with molecular formula C45H78O3 and molecular weight 666.60 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate
Also Known As: 25-Hydroxycholesteryl oleate, 25-Ohco, Cholest-5-ene-3,25-diol, 3-(9-octadecenoate), (3beta(Z))-, [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate, RefChem:89888
| Molecular Formula | C45H78O3 |
|---|---|
| Molecular Weight | 666.60 g/mol |
| LogP | 13.092 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 666.5951 |
| Heavy Atoms | 48 |
| Complexity | 1019.73584 |
Chemical Identifiers
| CAS Number | 68947-34-2 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)(C)O)C)C |
Product Overview
25-Hydroxycholesteryl oleate (CAS 68947-34-2), with molecular formula C45H78O3 and molecular weight 666.60 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (E)-octadec-9-enoate.
Chemical Property Profile of 25-Hydroxycholesteryl oleate
Property Insights of 25-Hydroxycholesteryl oleate
The XLogP value of 13.092 indicates that 25-Hydroxycholesteryl oleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 25-Hydroxycholesteryl oleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 25-Hydroxycholesteryl oleate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 25-Hydroxycholesteryl oleate?
The CAS number of 25-Hydroxycholesteryl oleate is 68947-34-2.
What is the molecular formula of 25-Hydroxycholesteryl oleate?
The molecular formula of 25-Hydroxycholesteryl oleate is C45H78O3.
What is the molecular weight of 25-Hydroxycholesteryl oleate?
The molecular weight of 25-Hydroxycholesteryl oleate is 666.60 g/mol.
Where can I buy 25-Hydroxycholesteryl oleate?
You can request a quote for 25-Hydroxycholesteryl oleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 25-Hydroxycholesteryl oleate?
Yes, KEHONG BIO provides custom synthesis services for 25-Hydroxycholesteryl oleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.