19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate
TL;DR: 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate (CAS 21072-69-5) is a chemical compound with molecular formula C36H54O5S and molecular weight 598.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[13-methyl-17-(6-methylheptan-2-yl)-10-[(4-methylphenyl)sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: cis-3.5-Diphenyl-1.2.4-trioxolan, 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate, Cholest-5-ene-3.beta., 3-acetate p-toluenesulfonate, Cholest-5-ene-3.beta.,19-diol, 3-acetate p-toluenesulfonate, 19-[(4-Methylbenzene-1-sulfonyl)oxy]cholest-5-en-3-yl acetate
| Molecular Formula | C36H54O5S |
|---|---|
| Molecular Weight | 598.37 g/mol |
| LogP | 9.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.3692 |
| Heavy Atoms | 42 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 21072-69-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2=CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)OC(=O)C |
| InChIKey | CGWSIECQYXYNSI-UHFFFAOYSA-N |
Product Overview
19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate (CAS 21072-69-5), with molecular formula C36H54O5S and molecular weight 598.37 g/mol. IUPAC: [13-methyl-17-(6-methylheptan-2-yl)-10-[(4-methylphenyl)sulfonyloxymethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate
Property Insights of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate
The XLogP value of 9.9 indicates that 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate. Following Lipinski's Rule of Five, 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate?
The CAS number of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate is 21072-69-5.
What is the molecular formula of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate?
The molecular formula of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate is C36H54O5S.
What is the molecular weight of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate?
The molecular weight of 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate is 598.37 g/mol.
Where can I buy 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate?
You can request a quote for 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 19-(((4-Methylphenyl)sulfonyl)oxy)cholest-5-en-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.