5-Chlorocholestane
TL;DR: 5-Chlorocholestane (CAS 999-68-8) is a chemical compound with molecular formula C27H47Cl and molecular weight 406.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5R,8S,9S,10R,13R,14S,17R)-5-chloro-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]phenanthrene
Also Known As: 5-Chlorocholestane, 5-Chloro-5beta-cholestane, 5-chloro-5, A-cholestane, 5-chloro-5 beta-cholestane
| Molecular Formula | C27H47Cl |
|---|---|
| Molecular Weight | 406.34 g/mol |
| LogP | 10.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.33664 |
| Heavy Atoms | 28 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 999-68-8 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@]4([C@@]3(CCCC4)C)Cl)C |
| InChIKey | DFYRMYFDFYNXBS-QRDISTMWSA-N |
Product Overview
5-Chlorocholestane (CAS 999-68-8), with molecular formula C27H47Cl and molecular weight 406.34 g/mol. IUPAC: (5R,8S,9S,10R,13R,14S,17R)-5-chloro-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]phenanthrene.
Chemical Property Profile of 5-Chlorocholestane
Property Insights of 5-Chlorocholestane
The XLogP value of 10.4 indicates that 5-Chlorocholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Chlorocholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chlorocholestane 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 5-Chlorocholestane?
The CAS number of 5-Chlorocholestane is 999-68-8.
What is the molecular formula of 5-Chlorocholestane?
The molecular formula of 5-Chlorocholestane is C27H47Cl.
What is the molecular weight of 5-Chlorocholestane?
The molecular weight of 5-Chlorocholestane is 406.34 g/mol.
Where can I buy 5-Chlorocholestane?
You can request a quote for 5-Chlorocholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chlorocholestane?
Yes, KEHONG BIO provides custom synthesis services for 5-Chlorocholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.