5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
TL;DR: 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol (CAS 6127-75-9) is a chemical compound with molecular formula C27H48O5 and molecular weight 452.35 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,17R)-17-[(2R)-6,7-dihydroxy-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: 5beta-Bufol, 5 beta-bufol, 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol, Cholestane-3,7,12,25,26-pentol, Coprostan-3,7,12,25,26-pentaol
| Molecular Formula | C27H48O5 |
|---|---|
| Molecular Weight | 452.35 g/mol |
| LogP | 3.4975 |
| Topological Polar Surface Area | 101.15 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.3502 |
| Heavy Atoms | 32 |
| Complexity | 666.4321 |
Chemical Identifiers
| CAS Number | 6127-75-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)(CO)O)[C@H]1CC[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 |
Product Overview
5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol (CAS 6127-75-9), with molecular formula C27H48O5 and molecular weight 452.35 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-6,7-dihydroxy-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 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
Property Insights of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol
The XLogP value of 3.4975 indicates that 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol. Following Lipinski's Rule of Five, 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol has 5 hydrogen bond donor(s) and 5 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 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol?
The CAS number of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol is 6127-75-9.
What is the molecular formula of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol?
The molecular formula of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol is C27H48O5.
What is the molecular weight of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol?
The molecular weight of 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol is 452.35 g/mol.
Where can I buy 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol?
You can request a quote for 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol?
Yes, KEHONG BIO provides custom synthesis services for 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.