Pregnenolon-acetat-thioketal
TL;DR: Pregnenolon-acetat-thioketal (CAS 692-93-3) is a chemical compound with molecular formula C28H38O4S and molecular weight 470.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate
Also Known As: Pregnenolon-acetat-thioketal, 20-oxopregn-5-en-3-yl 4-methylbenzenesulfonate, 20-Oxopregn-5-en-3-yl 4-methylbenzene-1-sulfonate, (17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 4-methylbenzenesulfonate, 1-[10,13-dimethyl-3-(4-methylphenyl)sulfonyloxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
| Molecular Formula | C28H38O4S |
|---|---|
| Molecular Weight | 470.25 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.24908 |
| Heavy Atoms | 33 |
| Complexity | 909.0 |
Chemical Identifiers
| CAS Number | 692-93-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(C4CCC5(C(C4CC=C3C2)CCC5C(=O)C)C)C |
| InChIKey | MOQRKBVEMYSZBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pregnenolon-acetat-thioketal (CAS 692-93-3), with molecular formula C28H38O4S and molecular weight 470.25 g/mol. IUPAC: (17-acetyl-10,13-dimethyl-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 Pregnenolon-acetat-thioketal
Property Insights of Pregnenolon-acetat-thioketal
The XLogP value of 6.2 indicates that Pregnenolon-acetat-thioketal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pregnenolon-acetat-thioketal. Following Lipinski's Rule of Five, Pregnenolon-acetat-thioketal has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pregnenolon-acetat-thioketal?
The CAS number of Pregnenolon-acetat-thioketal is 692-93-3.
What is the molecular formula of Pregnenolon-acetat-thioketal?
The molecular formula of Pregnenolon-acetat-thioketal is C28H38O4S.
What is the molecular weight of Pregnenolon-acetat-thioketal?
The molecular weight of Pregnenolon-acetat-thioketal is 470.25 g/mol.
Where can I buy Pregnenolon-acetat-thioketal?
You can request a quote for Pregnenolon-acetat-thioketal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pregnenolon-acetat-thioketal?
Yes, KEHONG BIO provides custom synthesis services for Pregnenolon-acetat-thioketal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.