3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid
TL;DR: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid (CAS 5226-26-6) is a chemical compound with molecular formula C27H44O5 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6R)-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]hept-2-enoic acid
Also Known As: 24-OH-THCA, 3,7,12-trihydroxycholest-24-enoicacid, 3,7,12-Trihydroxycholest-24-enoic acid, 3,7,12-Trihydroxy-5beta-cholest-24-en-26-oic acid, 3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-enoic acid
| Molecular Formula | C27H44O5 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 4.395 |
| Topological Polar Surface Area | 97.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.31888 |
| Heavy Atoms | 32 |
| Complexity | 748.32874 |
Chemical Identifiers
| CAS Number | 5226-26-6 |
|---|---|
| SMILES | C[C@H](CCC=C(C)C(=O)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 |
Product Overview
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid (CAS 5226-26-6), with molecular formula C27H44O5 and molecular weight 448.32 g/mol. IUPAC: (6R)-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]hept-2-enoic acid.
Chemical Property Profile of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid
Property Insights of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid
The XLogP value of 4.395 indicates that 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid. Following Lipinski's Rule of Five, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid has 4 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 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid?
The CAS number of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid is 5226-26-6.
What is the molecular formula of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid?
The molecular formula of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid is C27H44O5.
What is the molecular weight of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid?
The molecular weight of 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid is 448.32 g/mol.
Where can I buy 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid?
You can request a quote for 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.