Chloromethylphenylsulfone
TL;DR: Chloromethylphenylsulfone (CAS 77546-35-1) is a chemical compound with molecular formula C32H54O3 and molecular weight 486.41 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] 2-methylpropyl carbonate
Also Known As: Chloromethylphenylsulfone, Cholesterol Isobutyl Carbonate, Cholest-5-en-3-yl isobutyl carbonate, [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-methylpropyl carbonate, [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] 2-methylpropyl carbonate
| Molecular Formula | C32H54O3 |
|---|---|
| Molecular Weight | 486.41 g/mol |
| LogP | 10.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 486.4073 |
| Heavy Atoms | 35 |
| Complexity | 769.0 |
Chemical Identifiers
| CAS Number | 77546-35-1 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OCC(C)C)C)C |
| InChIKey | MNAUAMDEFOJPCS-UHFFFAOYSA-N |
Product Overview
Chloromethylphenylsulfone (CAS 77546-35-1), with molecular formula C32H54O3 and molecular weight 486.41 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] 2-methylpropyl carbonate.
Chemical Property Profile of Chloromethylphenylsulfone
Property Insights of Chloromethylphenylsulfone
The XLogP value of 10.9 indicates that Chloromethylphenylsulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Chloromethylphenylsulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethylphenylsulfone 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 Chloromethylphenylsulfone?
The CAS number of Chloromethylphenylsulfone is 77546-35-1.
What is the molecular formula of Chloromethylphenylsulfone?
The molecular formula of Chloromethylphenylsulfone is C32H54O3.
What is the molecular weight of Chloromethylphenylsulfone?
The molecular weight of Chloromethylphenylsulfone is 486.41 g/mol.
Where can I buy Chloromethylphenylsulfone?
You can request a quote for Chloromethylphenylsulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethylphenylsulfone?
Yes, KEHONG BIO provides custom synthesis services for Chloromethylphenylsulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.