5,6-Dibromocholestan-3beta-ol
TL;DR: 5,6-Dibromocholestan-3beta-ol (CAS 25182-80-3) is a chemical compound with molecular formula C27H46Br2O and molecular weight 544.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dibromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 5,6-Dibromocholestan-3beta-ol, 5,6-dibromocholestan-3-ol, 5,6-dibromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol, (3S,8S,9S,10R,13R,14S,17R)-5,6-dibromo-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol, 246-715-3
| Molecular Formula | C27H46Br2O |
|---|---|
| Molecular Weight | 544.19 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 546.1895 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 25182-80-3 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)Br)Br)C |
| InChIKey | CEQDUQUVPZBDDR-UHFFFAOYSA-N |
Product Overview
5,6-Dibromocholestan-3beta-ol (CAS 25182-80-3), with molecular formula C27H46Br2O and molecular weight 544.19 g/mol. IUPAC: 5,6-dibromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 5,6-Dibromocholestan-3beta-ol
Property Insights of 5,6-Dibromocholestan-3beta-ol
The XLogP value of 9.9 indicates that 5,6-Dibromocholestan-3beta-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 5,6-Dibromocholestan-3beta-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dibromocholestan-3beta-ol has 1 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 5,6-Dibromocholestan-3beta-ol?
The CAS number of 5,6-Dibromocholestan-3beta-ol is 25182-80-3.
What is the molecular formula of 5,6-Dibromocholestan-3beta-ol?
The molecular formula of 5,6-Dibromocholestan-3beta-ol is C27H46Br2O.
What is the molecular weight of 5,6-Dibromocholestan-3beta-ol?
The molecular weight of 5,6-Dibromocholestan-3beta-ol is 544.19 g/mol.
Where can I buy 5,6-Dibromocholestan-3beta-ol?
You can request a quote for 5,6-Dibromocholestan-3beta-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dibromocholestan-3beta-ol?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dibromocholestan-3beta-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.