3-Bromocholestan-2-one
TL;DR: 3-Bromocholestan-2-one (CAS 2042-01-5) is a chemical compound with molecular formula C27H45BrO and molecular weight 464.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
Also Known As: 3-Bromocholestan-2-one, 3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
| Molecular Formula | C27H45BrO |
|---|---|
| Molecular Weight | 464.27 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 464.26538 |
| Heavy Atoms | 29 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 2042-01-5 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(=O)C(C4)Br)C)C |
| InChIKey | SPDWVXFSKPKCIK-UHFFFAOYSA-N |
Product Overview
3-Bromocholestan-2-one (CAS 2042-01-5), with molecular formula C27H45BrO and molecular weight 464.27 g/mol. IUPAC: 3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one.
Chemical Property Profile of 3-Bromocholestan-2-one
Property Insights of 3-Bromocholestan-2-one
The XLogP value of 9.8 indicates that 3-Bromocholestan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Bromocholestan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromocholestan-2-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Bromocholestan-2-one?
The CAS number of 3-Bromocholestan-2-one is 2042-01-5.
What is the molecular formula of 3-Bromocholestan-2-one?
The molecular formula of 3-Bromocholestan-2-one is C27H45BrO.
What is the molecular weight of 3-Bromocholestan-2-one?
The molecular weight of 3-Bromocholestan-2-one is 464.27 g/mol.
Where can I buy 3-Bromocholestan-2-one?
You can request a quote for 3-Bromocholestan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromocholestan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromocholestan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.