7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one
TL;DR: 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one (CAS 78094-12-9) is a chemical compound with molecular formula C27H46O4 and molecular weight 434.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 7,12,26-Tohco, 7alpha,12alpha,26-Trihydroxy-5beta-cholestan-3-one, 7,12,26-Trihydroxycholestan-3-one, 5beta-cholestan-7alpha,12alpha,26-triol-3-one, A,12
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.3396 |
| Heavy Atoms | 31 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 78094-12-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)CO)[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(CCC(=O)C4)C)O)O)C |
| InChIKey | UCVRZTRGVBWBPR-SSGCBCEYSA-N |
Product Overview
7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one (CAS 78094-12-9), with molecular formula C27H46O4 and molecular weight 434.34 g/mol. IUPAC: (5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-17-[(2R)-7-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one
Property Insights of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one
The XLogP value of 4.9 indicates that 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one. Following Lipinski's Rule of Five, 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one has 3 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 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one?
The CAS number of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one is 78094-12-9.
What is the molecular formula of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one?
The molecular formula of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one is C27H46O4.
What is the molecular weight of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one?
The molecular weight of 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one is 434.34 g/mol.
Where can I buy 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one?
You can request a quote for 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 7 Alpha,12 alpha,26-trihydroxy-5 beta-cholestan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.