2-Bromocholestan-3-onato
TL;DR: 2-Bromocholestan-3-onato (CAS 2042-08-2) 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.
2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 2-Bromocholestan-3-one, 2-Bromocholestan-3-onato, 2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-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 | 2042-08-2 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)Br)C)C |
| InChIKey | DHZKAQAKUFROMZ-UHFFFAOYSA-N |
Product Overview
2-Bromocholestan-3-onato (CAS 2042-08-2), with molecular formula C27H45BrO and molecular weight 464.27 g/mol. IUPAC: 2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 2-Bromocholestan-3-onato
Property Insights of 2-Bromocholestan-3-onato
The XLogP value of 9.8 indicates that 2-Bromocholestan-3-onato is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Bromocholestan-3-onato exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromocholestan-3-onato 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 2-Bromocholestan-3-onato?
The CAS number of 2-Bromocholestan-3-onato is 2042-08-2.
What is the molecular formula of 2-Bromocholestan-3-onato?
The molecular formula of 2-Bromocholestan-3-onato is C27H45BrO.
What is the molecular weight of 2-Bromocholestan-3-onato?
The molecular weight of 2-Bromocholestan-3-onato is 464.27 g/mol.
Where can I buy 2-Bromocholestan-3-onato?
You can request a quote for 2-Bromocholestan-3-onato directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromocholestan-3-onato?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromocholestan-3-onato and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.