Methylsulfonylbutylamine
TL;DR: Methylsulfonylbutylamine (CAS 5453-68-9) is a chemical compound with molecular formula C5H14ClNO2S and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonylbutan-1-amine;hydrochloride
Also Known As: Methylsulfonylbutylamine, 4-METHANESULFONYLBUTAN-1-AMINE HYDROCHLORIDE, 1-Butanamine, 4-(methylsulfonyl)-, hydrochloride, 4-methylsulfonylbutan-1-amine;hydrochloride, 4-methylsulfonylbutan-1-amine hydrochloride
| Molecular Formula | C5H14ClNO2S |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 0.1917 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 187.04338 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 5453-68-9 |
|---|---|
| SMILES | CS(=O)(=O)CCCCN.Cl |
| InChIKey | WEDQZFQZBYGHGV-UHFFFAOYSA-N |
Product Overview
Methylsulfonylbutylamine (CAS 5453-68-9), with molecular formula C5H14ClNO2S and molecular weight 187.04 g/mol. IUPAC: 4-methylsulfonylbutan-1-amine;hydrochloride.
Chemical Property Profile of Methylsulfonylbutylamine
Property Insights of Methylsulfonylbutylamine
The XLogP value of 0.1917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylsulfonylbutylamine. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfonylbutylamine. Following Lipinski's Rule of Five, Methylsulfonylbutylamine has 2 hydrogen bond donor(s) and 3 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 Methylsulfonylbutylamine?
The CAS number of Methylsulfonylbutylamine is 5453-68-9.
What is the molecular formula of Methylsulfonylbutylamine?
The molecular formula of Methylsulfonylbutylamine is C5H14ClNO2S.
What is the molecular weight of Methylsulfonylbutylamine?
The molecular weight of Methylsulfonylbutylamine is 187.04 g/mol.
Where can I buy Methylsulfonylbutylamine?
You can request a quote for Methylsulfonylbutylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfonylbutylamine?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfonylbutylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.