Sulfide, butyl beta-chlorophenethyl
TL;DR: Sulfide, butyl beta-chlorophenethyl (CAS 5344-33-2) is a chemical compound with molecular formula C12H17ClS and molecular weight 228.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butylsulfanyl-1-chloroethyl)benzene
Also Known As: Butyl beta-chlorophenethyl sulfide, [2-(butylsulfanyl)-1-chloroethyl]benzene, Sulfide, butyl beta-chlorophenethyl, (2-butylsulfanyl-1-chloroethyl)benzene, Butyl(beta-chlorophenethyl) sulfide
| Molecular Formula | C12H17ClS |
|---|---|
| Molecular Weight | 228.07 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 228.07394 |
| Heavy Atoms | 14 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 5344-33-2 |
|---|---|
| SMILES | CCCCSCC(C1=CC=CC=C1)Cl |
| InChIKey | HQSLLSAIKQYICT-UHFFFAOYSA-N |
Product Overview
Sulfide, butyl beta-chlorophenethyl (CAS 5344-33-2), with molecular formula C12H17ClS and molecular weight 228.07 g/mol. IUPAC: (2-butylsulfanyl-1-chloroethyl)benzene.
Chemical Property Profile of Sulfide, butyl beta-chlorophenethyl
Property Insights of Sulfide, butyl beta-chlorophenethyl
The XLogP value of 4.2 indicates that Sulfide, butyl beta-chlorophenethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.3 Ų, Sulfide, butyl beta-chlorophenethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sulfide, butyl beta-chlorophenethyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sulfide, butyl beta-chlorophenethyl?
The CAS number of Sulfide, butyl beta-chlorophenethyl is 5344-33-2.
What is the molecular formula of Sulfide, butyl beta-chlorophenethyl?
The molecular formula of Sulfide, butyl beta-chlorophenethyl is C12H17ClS.
What is the molecular weight of Sulfide, butyl beta-chlorophenethyl?
The molecular weight of Sulfide, butyl beta-chlorophenethyl is 228.07 g/mol.
Where can I buy Sulfide, butyl beta-chlorophenethyl?
You can request a quote for Sulfide, butyl beta-chlorophenethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfide, butyl beta-chlorophenethyl?
Yes, KEHONG BIO provides custom synthesis services for Sulfide, butyl beta-chlorophenethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.