3Beta-tosyloxy-5alpha-cholestane
TL;DR: 3Beta-tosyloxy-5alpha-cholestane (CAS 34045-84-6) is a chemical compound with molecular formula C34H54O3S and molecular weight 542.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
Also Known As: 3beta-(Tosyloxy)-5alpha-cholestane, 3Beta-tosyloxy-5alpha-cholestane, A-tosyloxy-5, A-cholestane, Cholestan-3-yl 4-methylbenzenesulfonate #
| Molecular Formula | C34H54O3S |
|---|---|
| Molecular Weight | 542.38 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.3794 |
| Heavy Atoms | 38 |
| Complexity | 899.0 |
Chemical Identifiers
| CAS Number | 34045-84-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O[C@H]2CC[C@]3([C@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@H]4CC[C@@H]5[C@H](C)CCCC(C)C)C)C |
| InChIKey | IAEKFZXJTDNGTI-JYFMWEQCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3Beta-tosyloxy-5alpha-cholestane (CAS 34045-84-6), with molecular formula C34H54O3S and molecular weight 542.38 g/mol. IUPAC: [(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of 3Beta-tosyloxy-5alpha-cholestane
Property Insights of 3Beta-tosyloxy-5alpha-cholestane
The XLogP value of 11.4 indicates that 3Beta-tosyloxy-5alpha-cholestane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 3Beta-tosyloxy-5alpha-cholestane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3Beta-tosyloxy-5alpha-cholestane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3Beta-tosyloxy-5alpha-cholestane?
The CAS number of 3Beta-tosyloxy-5alpha-cholestane is 34045-84-6.
What is the molecular formula of 3Beta-tosyloxy-5alpha-cholestane?
The molecular formula of 3Beta-tosyloxy-5alpha-cholestane is C34H54O3S.
What is the molecular weight of 3Beta-tosyloxy-5alpha-cholestane?
The molecular weight of 3Beta-tosyloxy-5alpha-cholestane is 542.38 g/mol.
Where can I buy 3Beta-tosyloxy-5alpha-cholestane?
You can request a quote for 3Beta-tosyloxy-5alpha-cholestane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3Beta-tosyloxy-5alpha-cholestane?
Yes, KEHONG BIO provides custom synthesis services for 3Beta-tosyloxy-5alpha-cholestane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.