3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
TL;DR: 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid (CAS 186309-47-7) is a chemical compound with molecular formula C27H44O4 and molecular weight 432.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E,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-methylhept-2-enoic acid
Also Known As: 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid, (3?,5?,12?,24E)-3,12-Dihydroxy-cholest-24-en-26-oic Acid, (E,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-methylhept-2-enoic acid
| Molecular Formula | C27H44O4 |
|---|---|
| Molecular Weight | 432.32 g/mol |
| LogP | 5.4242 |
| Topological Polar Surface Area | 77.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.32397 |
| Heavy Atoms | 31 |
| Complexity | 716.025 |
Chemical Identifiers
| CAS Number | 186309-47-7 |
|---|---|
| SMILES | C[C@H](CC/C=C(\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-cholest-24-en-26-oic acid (CAS 186309-47-7), with molecular formula C27H44O4 and molecular weight 432.32 g/mol. IUPAC: (E,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-methylhept-2-enoic acid.
Chemical Property Profile of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
Property Insights of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid
The XLogP value of 5.4242 indicates that 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-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-cholest-24-en-26-oic acid. Following Lipinski's Rule of Five, 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-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-cholest-24-en-26-oic acid?
The CAS number of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid is 186309-47-7.
What is the molecular formula of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid?
The molecular formula of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid is C27H44O4.
What is the molecular weight of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid?
The molecular weight of 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid is 432.32 g/mol.
Where can I buy 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid?
You can request a quote for 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-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-cholest-24-en-26-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,12alpha-Dihydroxy-5beta-cholest-24-en-26-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.