7-Oxocholesteryl acetate
TL;DR: 7-Oxocholesteryl acetate (CAS 809-51-8) is a chemical compound with molecular formula C29H46O3 and molecular weight 442.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 7-Oxocholesteryl acetate, 7-Oxocholesterol acetate, 7-Oxo Cholesterol 3-Acetate, 7-Ketocholesteryl Acetate, 7-KETOCHOLESTEROL ACETATE
| Molecular Formula | C29H46O3 |
|---|---|
| Molecular Weight | 442.34 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 442.3447 |
| Heavy Atoms | 32 |
| Complexity | 766.0 |
Chemical Identifiers
| CAS Number | 809-51-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CC[C@@H](C4)OC(=O)C)C)C |
| InChIKey | PMBSWZWCNKVWLV-OLVLZXMISA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Oxocholesteryl acetate (CAS 809-51-8), with molecular formula C29H46O3 and molecular weight 442.34 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-7-oxo-1,2,3,4,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 7-Oxocholesteryl acetate
Property Insights of 7-Oxocholesteryl acetate
The XLogP value of 8.1 indicates that 7-Oxocholesteryl 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, 7-Oxocholesteryl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Oxocholesteryl 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 7-Oxocholesteryl acetate?
The CAS number of 7-Oxocholesteryl acetate is 809-51-8.
What is the molecular formula of 7-Oxocholesteryl acetate?
The molecular formula of 7-Oxocholesteryl acetate is C29H46O3.
What is the molecular weight of 7-Oxocholesteryl acetate?
The molecular weight of 7-Oxocholesteryl acetate is 442.34 g/mol.
Where can I buy 7-Oxocholesteryl acetate?
You can request a quote for 7-Oxocholesteryl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Oxocholesteryl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Oxocholesteryl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.