(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al
TL;DR: (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al (CAS 3836-01-9) 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)-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]heptanal
Also Known As: 3,7,12-Trihydroxycholestan-26-al, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-al, 3a,7a,12a-Trihydroxy-5b-cholestan-26-al, J2.732.427D, (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholestan-26-al
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.3396 |
| Heavy Atoms | 31 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 3836-01-9 |
|---|---|
| SMILES | C[C@H](CCCC(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 | USFJGINJGUIFSY-XZULNKEGSA-N |
Product Overview
(3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al (CAS 3836-01-9), with molecular formula C27H46O4 and molecular weight 434.34 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]heptanal.
Chemical Property Profile of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al
Property Insights of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al
The XLogP value of 5.2 indicates that (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al. Following Lipinski's Rule of Five, (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al?
The CAS number of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al is 3836-01-9.
What is the molecular formula of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al?
The molecular formula of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al is C27H46O4.
What is the molecular weight of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al?
The molecular weight of (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al is 434.34 g/mol.
Where can I buy (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al?
You can request a quote for (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al?
Yes, KEHONG BIO provides custom synthesis services for (3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxycholestan-26-al and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.