2-(Propylsulphonyl)aniline
TL;DR: 2-(Propylsulphonyl)aniline (CAS 76697-58-0) is a chemical compound with molecular formula C9H13NO2S and molecular weight 199.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propylsulfonylaniline
Also Known As: 2-propylsulfonylaniline, 2-(Propylsulphonyl)aniline, 2-(Propylsulfonyl)aniline, 1-Amino-2-(propylsulphonyl)benzene, 2-(propane-1-sulfonyl)aniline
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 1.4525 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 384.3561 |
Chemical Identifiers
| CAS Number | 76697-58-0 |
|---|---|
| SMILES | CCCS(=O)(=O)C1=CC=CC=C1N |
Product Overview
2-(Propylsulphonyl)aniline (CAS 76697-58-0), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: 2-propylsulfonylaniline.
Chemical Property Profile of 2-(Propylsulphonyl)aniline
Property Insights of 2-(Propylsulphonyl)aniline
The XLogP value of 1.4525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Propylsulphonyl)aniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Propylsulphonyl)aniline. Following Lipinski's Rule of Five, 2-(Propylsulphonyl)aniline has 1 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 2-(Propylsulphonyl)aniline?
The CAS number of 2-(Propylsulphonyl)aniline is 76697-58-0.
What is the molecular formula of 2-(Propylsulphonyl)aniline?
The molecular formula of 2-(Propylsulphonyl)aniline is C9H13NO2S.
What is the molecular weight of 2-(Propylsulphonyl)aniline?
The molecular weight of 2-(Propylsulphonyl)aniline is 199.07 g/mol.
Where can I buy 2-(Propylsulphonyl)aniline?
You can request a quote for 2-(Propylsulphonyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Propylsulphonyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(Propylsulphonyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.