3,7,12,25-Tetrahydroxycholestan-24-one
TL;DR: 3,7,12,25-Tetrahydroxycholestan-24-one (CAS 86971-05-3) is a chemical compound with molecular formula C27H46O5 and molecular weight 450.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-2-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-one
Also Known As: 3,7,12,25-Tetrahydroxycholestan-24-one, 3,7,12,25-THCHO, 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestan-24-one, A,7, A,12
| Molecular Formula | C27H46O5 |
|---|---|
| Molecular Weight | 450.33 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.33453 |
| Heavy Atoms | 32 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 86971-05-3 |
|---|---|
| SMILES | C[C@H](CCC(=O)C(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 | CFVCOEMVLNMDAX-LIIZXMBISA-N |
Product Overview
3,7,12,25-Tetrahydroxycholestan-24-one (CAS 86971-05-3), with molecular formula C27H46O5 and molecular weight 450.33 g/mol. IUPAC: (6R)-2-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-3-one.
Chemical Property Profile of 3,7,12,25-Tetrahydroxycholestan-24-one
Property Insights of 3,7,12,25-Tetrahydroxycholestan-24-one
The XLogP value of 3.7 indicates that 3,7,12,25-Tetrahydroxycholestan-24-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7,12,25-Tetrahydroxycholestan-24-one. Following Lipinski's Rule of Five, 3,7,12,25-Tetrahydroxycholestan-24-one has 4 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 3,7,12,25-Tetrahydroxycholestan-24-one?
The CAS number of 3,7,12,25-Tetrahydroxycholestan-24-one is 86971-05-3.
What is the molecular formula of 3,7,12,25-Tetrahydroxycholestan-24-one?
The molecular formula of 3,7,12,25-Tetrahydroxycholestan-24-one is C27H46O5.
What is the molecular weight of 3,7,12,25-Tetrahydroxycholestan-24-one?
The molecular weight of 3,7,12,25-Tetrahydroxycholestan-24-one is 450.33 g/mol.
Where can I buy 3,7,12,25-Tetrahydroxycholestan-24-one?
You can request a quote for 3,7,12,25-Tetrahydroxycholestan-24-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7,12,25-Tetrahydroxycholestan-24-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7,12,25-Tetrahydroxycholestan-24-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.