Cholestane-3,7,12,23-tetrol
TL;DR: Cholestane-3,7,12,23-tetrol (CAS 68832-44-0) 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,17R)-17-[(2R,4R)-4-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-3,7,12,23-tetrol, 5beta-Cholestane-3,7,12,23-tetrol, J2.810.620C, (23r)-5beta-cholestane-3alpha,7alpha,12alpha,23-tetrol, 5beta-Cholestane-3alpha,7alpha,12alpha,23-tetrol
| Molecular Formula | C27H48O4 |
|---|---|
| Molecular Weight | 436.36 g/mol |
| LogP | 5.1 |
| 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 | 637.0 |
Chemical Identifiers
| CAS Number | 68832-44-0 |
|---|---|
| SMILES | C[C@H](C[C@@H](CC(C)C)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 |
| InChIKey | VGCSSPQIZFVVCH-MYKQRDHBSA-N |
Product Overview
Cholestane-3,7,12,23-tetrol (CAS 68832-44-0), with molecular formula C27H48O4 and molecular weight 436.36 g/mol. IUPAC: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,4R)-4-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 Cholestane-3,7,12,23-tetrol
Property Insights of Cholestane-3,7,12,23-tetrol
The XLogP value of 5.1 indicates that Cholestane-3,7,12,23-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 Cholestane-3,7,12,23-tetrol. Following Lipinski's Rule of Five, Cholestane-3,7,12,23-tetrol has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholestane-3,7,12,23-tetrol?
The CAS number of Cholestane-3,7,12,23-tetrol is 68832-44-0.
What is the molecular formula of Cholestane-3,7,12,23-tetrol?
The molecular formula of Cholestane-3,7,12,23-tetrol is C27H48O4.
What is the molecular weight of Cholestane-3,7,12,23-tetrol?
The molecular weight of Cholestane-3,7,12,23-tetrol is 436.36 g/mol.
Where can I buy Cholestane-3,7,12,23-tetrol?
You can request a quote for Cholestane-3,7,12,23-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholestane-3,7,12,23-tetrol?
Yes, KEHONG BIO provides custom synthesis services for Cholestane-3,7,12,23-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.