Cholest-5-en-3-ol (3beta)-, hexanoate
TL;DR: Cholest-5-en-3-ol (3beta)-, hexanoate (CAS 1062-96-0) is a chemical compound with molecular formula C33H56O2 and molecular weight 484.43 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)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate
Also Known As: Cholesterol Hexanoate, Cholesteryl hexanoate, Cholesteryl caproate, Cholesteryl oleate, cholesterol caproate
| Molecular Formula | C33H56O2 |
|---|---|
| Molecular Weight | 484.43 g/mol |
| LogP | 11.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 484.42804 |
| Heavy Atoms | 35 |
| Complexity | 752.0 |
Chemical Identifiers
| CAS Number | 1062-96-0 |
|---|---|
| SMILES | CCCCCC(=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)C)C |
| InChIKey | FPBODWXATDKICU-FLFWOSPYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cholest-5-en-3-ol (3beta)-, hexanoate (CAS 1062-96-0), with molecular formula C33H56O2 and molecular weight 484.43 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexanoate.
Chemical Property Profile of Cholest-5-en-3-ol (3beta)-, hexanoate
Property Insights of Cholest-5-en-3-ol (3beta)-, hexanoate
The XLogP value of 11.0 indicates that Cholest-5-en-3-ol (3beta)-, hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cholest-5-en-3-ol (3beta)-, hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3beta)-, hexanoate 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 Cholest-5-en-3-ol (3beta)-, hexanoate?
The CAS number of Cholest-5-en-3-ol (3beta)-, hexanoate is 1062-96-0.
What is the molecular formula of Cholest-5-en-3-ol (3beta)-, hexanoate?
The molecular formula of Cholest-5-en-3-ol (3beta)-, hexanoate is C33H56O2.
What is the molecular weight of Cholest-5-en-3-ol (3beta)-, hexanoate?
The molecular weight of Cholest-5-en-3-ol (3beta)-, hexanoate is 484.43 g/mol.
Where can I buy Cholest-5-en-3-ol (3beta)-, hexanoate?
You can request a quote for Cholest-5-en-3-ol (3beta)-, hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-ol (3beta)-, hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3beta)-, hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.