(8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate
TL;DR: (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate (CAS 1256-83-3) is a chemical compound with molecular formula C29H48O3 and molecular weight 444.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-Oxocholestan-3-yl acetate, (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate, [(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C29H48O3 |
|---|---|
| Molecular Weight | 444.36 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.36035 |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 1256-83-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)[C@@H]4C3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | QGGRDHGCNNAWIE-KUGUQYSOSA-N |
Product Overview
(8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate (CAS 1256-83-3), with molecular formula C29H48O3 and molecular weight 444.36 g/mol. IUPAC: [(3S,5S)-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate
Property Insights of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate
The XLogP value of 8.3 indicates that (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate has 0 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 (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate?
The CAS number of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate is 1256-83-3.
What is the molecular formula of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate?
The molecular formula of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate is C29H48O3.
What is the molecular weight of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate?
The molecular weight of (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate is 444.36 g/mol.
Where can I buy (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate?
You can request a quote for (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for (8xi,9xi,10xi,13xi,14xi,17xi,20xi)-6-Oxo-5alpha-cholestan-3beta-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.