4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid
TL;DR: 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid (CAS 10157-97-8) is a chemical compound with molecular formula C31H52O6 and molecular weight 520.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
Also Known As: CT 5, 5alpha-Cholestane-3beta,5,6beta-triol, 3-(hydrogen succinate), Cholestane-3-beta,5-alpha,6-beta-triol, 3-hydrogen succinate, Succinic acid, mono(5,6beta-dihydroxy-5alpha-cholestan-3beta-yl) ester, 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid
| Molecular Formula | C31H52O6 |
|---|---|
| Molecular Weight | 520.38 g/mol |
| LogP | 5.97 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 520.3764 |
| Heavy Atoms | 37 |
| Complexity | 841.5549 |
Chemical Identifiers
| CAS Number | 10157-97-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H]([C@@]4([C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)O)O)C |
Product Overview
4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid (CAS 10157-97-8), with molecular formula C31H52O6 and molecular weight 520.38 g/mol. IUPAC: 4-[[(3S,5R,6R,8S,9S,10R,13R,14S,17R)-5,6-dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid.
Chemical Property Profile of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid
Property Insights of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid
The XLogP value of 5.97 indicates that 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid?
The CAS number of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid is 10157-97-8.
What is the molecular formula of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid?
The molecular formula of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid is C31H52O6.
What is the molecular weight of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid?
The molecular weight of 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid is 520.38 g/mol.
Where can I buy 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid?
You can request a quote for 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((5,6-Dihydroxycholestan-3-yl)oxy)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.