3beta-Bromocholest-5-ene
TL;DR: 3beta-Bromocholest-5-ene (CAS 516-91-6) is a chemical compound with molecular formula C27H45Br and molecular weight 448.27 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)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
Also Known As: Cholesteryl bromide, 3-Bromocholest-5-ene, 3beta-Bromocholest-5-ene, Cholest-5-ene, 3-bromo-, (3beta)-, Cholest-5-ene, 3-bromo-, (3.beta.)-
| Molecular Formula | C27H45Br |
|---|---|
| Molecular Weight | 448.27 g/mol |
| LogP | 10.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.27045 |
| Heavy Atoms | 28 |
| Complexity | 591.0 |
Chemical Identifiers
| CAS Number | 516-91-6 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)Br)C)C |
| InChIKey | WDRGNJZPWVRVSN-UHFFFAOYSA-N |
Product Overview
3beta-Bromocholest-5-ene (CAS 516-91-6), with molecular formula C27H45Br and molecular weight 448.27 g/mol. IUPAC: 3-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.
Chemical Property Profile of 3beta-Bromocholest-5-ene
Property Insights of 3beta-Bromocholest-5-ene
The XLogP value of 10.0 indicates that 3beta-Bromocholest-5-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3beta-Bromocholest-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3beta-Bromocholest-5-ene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3beta-Bromocholest-5-ene?
The CAS number of 3beta-Bromocholest-5-ene is 516-91-6.
What is the molecular formula of 3beta-Bromocholest-5-ene?
The molecular formula of 3beta-Bromocholest-5-ene is C27H45Br.
What is the molecular weight of 3beta-Bromocholest-5-ene?
The molecular weight of 3beta-Bromocholest-5-ene is 448.27 g/mol.
Where can I buy 3beta-Bromocholest-5-ene?
You can request a quote for 3beta-Bromocholest-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3beta-Bromocholest-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 3beta-Bromocholest-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.