4-Methanesulfonyl-3-methylaniline
TL;DR: 4-Methanesulfonyl-3-methylaniline (CAS 1671-50-7) is a chemical compound with molecular formula C8H11NO2S and molecular weight 185.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-methylsulfonylaniline
Also Known As: 4-methanesulfonyl-3-methylaniline, 3-methyl-4-(methylsulfonyl)aniline, 3-methyl-4-methylsulfonylaniline, Benzenamine, 3-methyl-4-(methylsulfonyl)-, 4-methanesulfonyl-3-methyl-aniline
| Molecular Formula | C8H11NO2S |
|---|---|
| Molecular Weight | 185.05 g/mol |
| LogP | 0.98072 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.05106 |
| Heavy Atoms | 12 |
| Complexity | 395.51892 |
Chemical Identifiers
| CAS Number | 1671-50-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N)S(=O)(=O)C |
Product Overview
4-Methanesulfonyl-3-methylaniline (CAS 1671-50-7), with molecular formula C8H11NO2S and molecular weight 185.05 g/mol. IUPAC: 3-methyl-4-methylsulfonylaniline.
Chemical Property Profile of 4-Methanesulfonyl-3-methylaniline
Property Insights of 4-Methanesulfonyl-3-methylaniline
The XLogP value of 0.98072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methanesulfonyl-3-methylaniline. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methanesulfonyl-3-methylaniline. Following Lipinski's Rule of Five, 4-Methanesulfonyl-3-methylaniline 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 4-Methanesulfonyl-3-methylaniline?
The CAS number of 4-Methanesulfonyl-3-methylaniline is 1671-50-7.
What is the molecular formula of 4-Methanesulfonyl-3-methylaniline?
The molecular formula of 4-Methanesulfonyl-3-methylaniline is C8H11NO2S.
What is the molecular weight of 4-Methanesulfonyl-3-methylaniline?
The molecular weight of 4-Methanesulfonyl-3-methylaniline is 185.05 g/mol.
Where can I buy 4-Methanesulfonyl-3-methylaniline?
You can request a quote for 4-Methanesulfonyl-3-methylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methanesulfonyl-3-methylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methanesulfonyl-3-methylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.