3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid
TL;DR: 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid (CAS 73306-87-3) 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.
(6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid
Also Known As: dihydroxycholestanoic acid, 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid, 3alpha,12alpha-Dihydroxy-5beta-Cholestanoic Acid, (6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid, (6R)-6-[(1R,3aS,3bR,5aR,7R,9aS,9bS,11S,11aR)-7,11-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]-2-methylheptanoic acid
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 5.5041 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.3396 |
| Heavy Atoms | 31 |
| Complexity | 663.6219 |
Chemical Identifiers
| CAS Number | 73306-87-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
Product Overview
3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid (CAS 73306-87-3), with molecular formula C27H46O4 and molecular weight 434.34 g/mol. IUPAC: (6R)-6-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptanoic acid.
Chemical Property Profile of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid
Property Insights of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid
The XLogP value of 5.5041 indicates that 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid. Following Lipinski's Rule of Five, 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid?
The CAS number of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid is 73306-87-3.
What is the molecular formula of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid?
The molecular formula of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid is C27H46O4.
What is the molecular weight of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid?
The molecular weight of 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid is 434.34 g/mol.
Where can I buy 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid?
You can request a quote for 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,12alpha-Dihydroxy-5beta-cholestan-26-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.