Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate
TL;DR: Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate (CAS 40445-72-5) is a chemical compound with molecular formula C45H80O3 and molecular weight 668.61 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)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-hydroxyoctadecanoate
Also Known As: Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate
| Molecular Formula | C45H80O3 |
|---|---|
| Molecular Weight | 668.61 g/mol |
| LogP | 13.1719 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 22 |
| Exact Mass | 668.6107 |
| Heavy Atoms | 48 |
| Complexity | 969.275 |
Chemical Identifiers
| CAS Number | 40445-72-5 |
|---|---|
| SMILES | CCCCCCC(CCCCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C)O |
Product Overview
Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate (CAS 40445-72-5), with molecular formula C45H80O3 and molecular weight 668.61 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 12-hydroxyoctadecanoate.
Chemical Property Profile of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate
Property Insights of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate
The XLogP value of 13.1719 indicates that Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate 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 Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate?
The CAS number of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate is 40445-72-5.
What is the molecular formula of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate?
The molecular formula of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate is C45H80O3.
What is the molecular weight of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate?
The molecular weight of Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate is 668.61 g/mol.
Where can I buy Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate?
You can request a quote for Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate 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 (3b)-, 12-hydroxyoctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-ol (3b)-, 12-hydroxyoctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.