5-Bromo-6-oxocholestan-3-yl acetate
TL;DR: 5-Bromo-6-oxocholestan-3-yl acetate (CAS 15001-93-1) is a chemical compound with molecular formula C29H47BrO3 and molecular weight 522.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: 6-oxo-5-azacytidine, 5-bromo-6-oxocholestan-3-yl acetate, Cholestan-6-one, (3.beta.,5.alpha.)-, Cholestan-6-one, 3-(acetyloxy)-5-bromo-, (3.beta.,5.alpha.)-, [5-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
| Molecular Formula | C29H47BrO3 |
|---|---|
| Molecular Weight | 522.27 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.2709 |
| Heavy Atoms | 33 |
| Complexity | 764.0 |
Chemical Identifiers
| CAS Number | 15001-93-1 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=O)C4(C3(CCC(C4)OC(=O)C)C)Br)C |
| InChIKey | YSMYGJURSXWFES-UHFFFAOYSA-N |
Product Overview
5-Bromo-6-oxocholestan-3-yl acetate (CAS 15001-93-1), with molecular formula C29H47BrO3 and molecular weight 522.27 g/mol. IUPAC: [5-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 5-Bromo-6-oxocholestan-3-yl acetate
Property Insights of 5-Bromo-6-oxocholestan-3-yl acetate
The XLogP value of 9.0 indicates that 5-Bromo-6-oxocholestan-3-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, 5-Bromo-6-oxocholestan-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-oxocholestan-3-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 5-Bromo-6-oxocholestan-3-yl acetate?
The CAS number of 5-Bromo-6-oxocholestan-3-yl acetate is 15001-93-1.
What is the molecular formula of 5-Bromo-6-oxocholestan-3-yl acetate?
The molecular formula of 5-Bromo-6-oxocholestan-3-yl acetate is C29H47BrO3.
What is the molecular weight of 5-Bromo-6-oxocholestan-3-yl acetate?
The molecular weight of 5-Bromo-6-oxocholestan-3-yl acetate is 522.27 g/mol.
Where can I buy 5-Bromo-6-oxocholestan-3-yl acetate?
You can request a quote for 5-Bromo-6-oxocholestan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-6-oxocholestan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-oxocholestan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.