3,7-Dihydroxycholestan-26-oic acid
TL;DR: 3,7-Dihydroxycholestan-26-oic acid (CAS 17974-66-2) 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,5S,7R,10S,13R)-3,7-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: 3,7-dihydroxycholestan-26-oic acid, 3alpha,7alpha-Dihydroxy-5beta-cholestanate, 3alpha,7alpha-Dihydroxy-5beta-cholestanoate, Cholestan-26-oic acid,3,7-dihydroxy-, (3a,5b,7a)-, (8xi,9xi,14xi,17xi)-3alpha,7alpha-Dihydroxy-5beta-cholestan-26-oic acid
| Molecular Formula | C27H46O4 |
|---|---|
| Molecular Weight | 434.34 g/mol |
| LogP | 6.6 |
| 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 | 664.0 |
Chemical Identifiers
| CAS Number | 17974-66-2 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(=O)O)C1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| InChIKey | ITZYGDKGRKKBSN-SQZYAAIWSA-N |
Product Overview
3,7-Dihydroxycholestan-26-oic acid (CAS 17974-66-2), with molecular formula C27H46O4 and molecular weight 434.34 g/mol. IUPAC: (6R)-6-[(3R,5S,7R,10S,13R)-3,7-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 3,7-Dihydroxycholestan-26-oic acid
Property Insights of 3,7-Dihydroxycholestan-26-oic acid
The XLogP value of 6.6 indicates that 3,7-Dihydroxycholestan-26-oic acid 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 3,7-Dihydroxycholestan-26-oic acid. Following Lipinski's Rule of Five, 3,7-Dihydroxycholestan-26-oic acid 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 3,7-Dihydroxycholestan-26-oic acid?
The CAS number of 3,7-Dihydroxycholestan-26-oic acid is 17974-66-2.
What is the molecular formula of 3,7-Dihydroxycholestan-26-oic acid?
The molecular formula of 3,7-Dihydroxycholestan-26-oic acid is C27H46O4.
What is the molecular weight of 3,7-Dihydroxycholestan-26-oic acid?
The molecular weight of 3,7-Dihydroxycholestan-26-oic acid is 434.34 g/mol.
Where can I buy 3,7-Dihydroxycholestan-26-oic acid?
You can request a quote for 3,7-Dihydroxycholestan-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 3,7-Dihydroxycholestan-26-oic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dihydroxycholestan-26-oic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.