2-Bromocholestan-3-ol
TL;DR: 2-Bromocholestan-3-ol (CAS 3903-52-4) is a chemical compound with molecular formula C27H47BrO and molecular weight 466.28 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)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Also Known As: 2-Bromocholestan-3-ol, 2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
| Molecular Formula | C27H47BrO |
|---|---|
| Molecular Weight | 466.28 g/mol |
| LogP | 9.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 466.28104 |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
Chemical Identifiers
| CAS Number | 3903-52-4 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)O)Br)C)C |
| InChIKey | IZWHBFBYKQEQAB-UHFFFAOYSA-N |
Product Overview
2-Bromocholestan-3-ol (CAS 3903-52-4), with molecular formula C27H47BrO and molecular weight 466.28 g/mol. IUPAC: 2-bromo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of 2-Bromocholestan-3-ol
Property Insights of 2-Bromocholestan-3-ol
The XLogP value of 9.8 indicates that 2-Bromocholestan-3-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, 2-Bromocholestan-3-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromocholestan-3-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 2-Bromocholestan-3-ol?
The CAS number of 2-Bromocholestan-3-ol is 3903-52-4.
What is the molecular formula of 2-Bromocholestan-3-ol?
The molecular formula of 2-Bromocholestan-3-ol is C27H47BrO.
What is the molecular weight of 2-Bromocholestan-3-ol?
The molecular weight of 2-Bromocholestan-3-ol is 466.28 g/mol.
Where can I buy 2-Bromocholestan-3-ol?
You can request a quote for 2-Bromocholestan-3-ol 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-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromocholestan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.