Cholest-5-ene-3,4-diol, (3beta,4alpha)-
TL;DR: Cholest-5-ene-3,4-diol, (3beta,4alpha)- (CAS 34310-86-6) 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,4S,8S,9S,10R,13R,14S)-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]phenanthrene-3,4-diol
Also Known As: 4-Hydroxycholesterol, KST-1A4480, Cholest-5-ene-3,4-diol, (3beta,4alpha)-, (3beta,4alpha)-Cholest-5-ene-3,4-diol, Cholest-5-ene-3.beta.,4.alpha.-diol
| Molecular Formula | C27H46O2 |
|---|---|
| Molecular Weight | 402.35 g/mol |
| LogP | 7.4 |
| 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 | 34310-86-6 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)C1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H]([C@H]4O)O)C)C |
| InChIKey | CZDKQKOAHAICSF-FXUNXKNKSA-N |
Product Overview
Cholest-5-ene-3,4-diol, (3beta,4alpha)- (CAS 34310-86-6), with molecular formula C27H46O2 and molecular weight 402.35 g/mol. IUPAC: (3S,4S,8S,9S,10R,13R,14S)-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]phenanthrene-3,4-diol.
Chemical Property Profile of Cholest-5-ene-3,4-diol, (3beta,4alpha)-
Property Insights of Cholest-5-ene-3,4-diol, (3beta,4alpha)-
The XLogP value of 7.4 indicates that Cholest-5-ene-3,4-diol, (3beta,4alpha)- 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-5-ene-3,4-diol, (3beta,4alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-ene-3,4-diol, (3beta,4alpha)- 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-5-ene-3,4-diol, (3beta,4alpha)-?
The CAS number of Cholest-5-ene-3,4-diol, (3beta,4alpha)- is 34310-86-6.
What is the molecular formula of Cholest-5-ene-3,4-diol, (3beta,4alpha)-?
The molecular formula of Cholest-5-ene-3,4-diol, (3beta,4alpha)- is C27H46O2.
What is the molecular weight of Cholest-5-ene-3,4-diol, (3beta,4alpha)-?
The molecular weight of Cholest-5-ene-3,4-diol, (3beta,4alpha)- is 402.35 g/mol.
Where can I buy Cholest-5-ene-3,4-diol, (3beta,4alpha)-?
You can request a quote for Cholest-5-ene-3,4-diol, (3beta,4alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-ene-3,4-diol, (3beta,4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-ene-3,4-diol, (3beta,4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.