1-Butylsulfinyl-1-chlorobutane
TL;DR: 1-Butylsulfinyl-1-chlorobutane (CAS 21128-90-5) is a chemical compound with molecular formula C8H17ClOS and molecular weight 196.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butylsulfinyl-1-chlorobutane
Also Known As: 1-butylsulfinyl-1-chlorobutane, 1-(BUTANE-1-SULFINYL)-1-CHLOROBUTANE
| Molecular Formula | C8H17ClOS |
|---|---|
| Molecular Weight | 196.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.06886 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 21128-90-5 |
|---|---|
| SMILES | CCCCS(=O)C(CCC)Cl |
| InChIKey | FHWJLZBLAFUSGT-UHFFFAOYSA-N |
Product Overview
1-Butylsulfinyl-1-chlorobutane (CAS 21128-90-5), with molecular formula C8H17ClOS and molecular weight 196.07 g/mol. IUPAC: 1-butylsulfinyl-1-chlorobutane.
Chemical Property Profile of 1-Butylsulfinyl-1-chlorobutane
Property Insights of 1-Butylsulfinyl-1-chlorobutane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butylsulfinyl-1-chlorobutane. With a topological polar surface area (TPSA) of 36.3 Ų, 1-Butylsulfinyl-1-chlorobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butylsulfinyl-1-chlorobutane has 0 hydrogen bond donor(s) and 2 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 1-Butylsulfinyl-1-chlorobutane?
The CAS number of 1-Butylsulfinyl-1-chlorobutane is 21128-90-5.
What is the molecular formula of 1-Butylsulfinyl-1-chlorobutane?
The molecular formula of 1-Butylsulfinyl-1-chlorobutane is C8H17ClOS.
What is the molecular weight of 1-Butylsulfinyl-1-chlorobutane?
The molecular weight of 1-Butylsulfinyl-1-chlorobutane is 196.07 g/mol.
Where can I buy 1-Butylsulfinyl-1-chlorobutane?
You can request a quote for 1-Butylsulfinyl-1-chlorobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butylsulfinyl-1-chlorobutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Butylsulfinyl-1-chlorobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.