3,6,7,12-Tetrahydroxycholestanoic acid
TL;DR: 3,6,7,12-Tetrahydroxycholestanoic acid (CAS 95889-31-9) is a chemical compound with molecular formula C27H46O6 and molecular weight 466.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-2-methyl-6-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
Also Known As: 3,6,7,12-Tetrahydroxycholestanoic acid, 3,6,7,12-tetrahydroxycholestanoicacid, 3,6,7,12-tetrahydroxycholestan-26-oic acid, 3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholestanoic acid, (6R)-2-methyl-6-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
| Molecular Formula | C27H46O6 |
|---|---|
| Molecular Weight | 466.33 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.32944 |
| Heavy Atoms | 33 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 95889-31-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1(C(C[C@H]3[C@H]2C(C(C4[C@@]3(CCC(C4)O)C)O)O)O)C |
| InChIKey | RVAJJSHFHVWNHR-WMXFRAFFSA-N |
Product Overview
3,6,7,12-Tetrahydroxycholestanoic acid (CAS 95889-31-9), with molecular formula C27H46O6 and molecular weight 466.33 g/mol. IUPAC: (6R)-2-methyl-6-[(8R,9S,10R,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid.
Chemical Property Profile of 3,6,7,12-Tetrahydroxycholestanoic acid
Property Insights of 3,6,7,12-Tetrahydroxycholestanoic acid
The XLogP value of 4.3 indicates that 3,6,7,12-Tetrahydroxycholestanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,7,12-Tetrahydroxycholestanoic acid. Following Lipinski's Rule of Five, 3,6,7,12-Tetrahydroxycholestanoic acid has 5 hydrogen bond donor(s) and 6 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 3,6,7,12-Tetrahydroxycholestanoic acid?
The CAS number of 3,6,7,12-Tetrahydroxycholestanoic acid is 95889-31-9.
What is the molecular formula of 3,6,7,12-Tetrahydroxycholestanoic acid?
The molecular formula of 3,6,7,12-Tetrahydroxycholestanoic acid is C27H46O6.
What is the molecular weight of 3,6,7,12-Tetrahydroxycholestanoic acid?
The molecular weight of 3,6,7,12-Tetrahydroxycholestanoic acid is 466.33 g/mol.
Where can I buy 3,6,7,12-Tetrahydroxycholestanoic acid?
You can request a quote for 3,6,7,12-Tetrahydroxycholestanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6,7,12-Tetrahydroxycholestanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6,7,12-Tetrahydroxycholestanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.