5b-Cholestane-3a,7a,12a,25-tetrol
TL;DR: 5b-Cholestane-3a,7a,12a,25-tetrol (CAS 18866-87-0) is a chemical compound with molecular formula C27H48O4 and molecular weight 436.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Also Known As: Cholestane-3,7,12,25-tetrol, 5b-Cholestane-3a,7a,12a,25-tetrol, 5beta-Cholestane-3alpha,7alpha,12alpha,25-tetrol, 5beta-Cholestane-3beta,7alpha,12alpha,25-tetrol, (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
| Molecular Formula | C27H48O4 |
|---|---|
| Molecular Weight | 436.36 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.35526 |
| Heavy Atoms | 31 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 18866-87-0 |
|---|---|
| SMILES | C[C@H](CCCC(C)(C)O)C1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C |
| InChIKey | NTIXPPFPXLYJCT-RUYUEJGQSA-N |
Product Overview
5b-Cholestane-3a,7a,12a,25-tetrol (CAS 18866-87-0), with molecular formula C27H48O4 and molecular weight 436.36 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol.
Chemical Property Profile of 5b-Cholestane-3a,7a,12a,25-tetrol
Property Insights of 5b-Cholestane-3a,7a,12a,25-tetrol
The XLogP value of 4.9 indicates that 5b-Cholestane-3a,7a,12a,25-tetrol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5b-Cholestane-3a,7a,12a,25-tetrol. Following Lipinski's Rule of Five, 5b-Cholestane-3a,7a,12a,25-tetrol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5b-Cholestane-3a,7a,12a,25-tetrol?
The CAS number of 5b-Cholestane-3a,7a,12a,25-tetrol is 18866-87-0.
What is the molecular formula of 5b-Cholestane-3a,7a,12a,25-tetrol?
The molecular formula of 5b-Cholestane-3a,7a,12a,25-tetrol is C27H48O4.
What is the molecular weight of 5b-Cholestane-3a,7a,12a,25-tetrol?
The molecular weight of 5b-Cholestane-3a,7a,12a,25-tetrol is 436.36 g/mol.
Where can I buy 5b-Cholestane-3a,7a,12a,25-tetrol?
You can request a quote for 5b-Cholestane-3a,7a,12a,25-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5b-Cholestane-3a,7a,12a,25-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 5b-Cholestane-3a,7a,12a,25-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.