Cholest-5-en-3-yl 4-methylbenzenesulfonate
TL;DR: Cholest-5-en-3-yl 4-methylbenzenesulfonate (CAS 118608-97-2) is a chemical compound with molecular formula C34H52O3S and molecular weight 540.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate
Also Known As: Cholesteryl tosylate, Cholesterol 3-tosylate, Cholesteryl p-toluenesulfonate, Cholesteryl p-toluenesulphonate, Cholesterol, p-toluenesulfonate
| Molecular Formula | C34H52O3S |
|---|---|
| Molecular Weight | 540.36 g/mol |
| LogP | 10.6 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.3637 |
| Heavy Atoms | 38 |
| Complexity | 955.0 |
Chemical Identifiers
| CAS Number | 118608-97-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(C)CCCC(C)C)C)C |
| InChIKey | RNZDACWUXZHQMI-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-yl 4-methylbenzenesulfonate (CAS 118608-97-2), with molecular formula C34H52O3S and molecular weight 540.36 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of Cholest-5-en-3-yl 4-methylbenzenesulfonate
Property Insights of Cholest-5-en-3-yl 4-methylbenzenesulfonate
The XLogP value of 10.6 indicates that Cholest-5-en-3-yl 4-methylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Cholest-5-en-3-yl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-yl 4-methylbenzenesulfonate 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 Cholest-5-en-3-yl 4-methylbenzenesulfonate?
The CAS number of Cholest-5-en-3-yl 4-methylbenzenesulfonate is 118608-97-2.
What is the molecular formula of Cholest-5-en-3-yl 4-methylbenzenesulfonate?
The molecular formula of Cholest-5-en-3-yl 4-methylbenzenesulfonate is C34H52O3S.
What is the molecular weight of Cholest-5-en-3-yl 4-methylbenzenesulfonate?
The molecular weight of Cholest-5-en-3-yl 4-methylbenzenesulfonate is 540.36 g/mol.
Where can I buy Cholest-5-en-3-yl 4-methylbenzenesulfonate?
You can request a quote for Cholest-5-en-3-yl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.