Cholest-14-ene-3,16-diol
TL;DR: Cholest-14-ene-3,16-diol (CAS 139953-32-5) is a chemical compound with molecular formula C27H46O2 and molecular weight 402.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,5S,8R,9S,10S,13R,16R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
Also Known As: Cholest-14-ene-3,16-diol, 5alpha-Cholest-14-en-3beta,16alpha-diol, 5alpha-Cholest-14-ene-3beta,16alpha-diol, (3S,5S,8R,9S,10S,13R,16R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol, (1R,2R,3bR,5aS,7S,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,7-diol
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.3498 |
| Heavy Atoms | 29 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 139953-32-5 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1[C@@H](C=C2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)O |
| InChIKey | ZOAXOAKEGDZGLC-PUHROEFSSA-N |
Product Overview
Cholest-14-ene-3,16-diol (CAS 139953-32-5), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,5S,8R,9S,10S,13R,16R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol.
Chemical Property Profile of Cholest-14-ene-3,16-diol
Property Insights of Cholest-14-ene-3,16-diol
The XLogP value of 7.3 indicates that Cholest-14-ene-3,16-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Cholest-14-ene-3,16-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-14-ene-3,16-diol has 2 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-14-ene-3,16-diol?
The CAS number of Cholest-14-ene-3,16-diol is 139953-32-5.
What is the molecular formula of Cholest-14-ene-3,16-diol?
The molecular formula of Cholest-14-ene-3,16-diol is C27H46O2.
What is the molecular weight of Cholest-14-ene-3,16-diol?
The molecular weight of Cholest-14-ene-3,16-diol is 402.35 g/mol.
Where can I buy Cholest-14-ene-3,16-diol?
You can request a quote for Cholest-14-ene-3,16-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-14-ene-3,16-diol?
Yes, KEHONG BIO provides custom synthesis services for Cholest-14-ene-3,16-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.