4-(Methylsulfonyl)aniline hydrochloride
TL;DR: 4-(Methylsulfonyl)aniline hydrochloride (CAS 177662-76-9) is a chemical compound with molecular formula C7H10ClNO2S and molecular weight 207.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylsulfonylaniline;hydrochloride
Also Known As: 4-(Methylsulfonyl)aniline hydrochloride, 4-methylsulfonylaniline Hydrochloride, 4-methylsulfonylaniline;hydrochloride, 4-methanesulfonylaniline hydrochloride, 4-(Methylsulfonyl)aniline HCl
| Molecular Formula | C7H10ClNO2S |
|---|---|
| Molecular Weight | 207.01 g/mol |
| LogP | 1.0941 |
| Topological Polar Surface Area | 60.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.01208 |
| Heavy Atoms | 12 |
| Complexity | 344.17404 |
Chemical Identifiers
| CAS Number | 177662-76-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)N.Cl |
Product Overview
4-(Methylsulfonyl)aniline hydrochloride (CAS 177662-76-9), with molecular formula C7H10ClNO2S and molecular weight 207.01 g/mol. IUPAC: 4-methylsulfonylaniline;hydrochloride.
Chemical Property Profile of 4-(Methylsulfonyl)aniline hydrochloride
Property Insights of 4-(Methylsulfonyl)aniline hydrochloride
The XLogP value of 1.0941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfonyl)aniline hydrochloride. The TPSA of 60.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfonyl)aniline hydrochloride. Following Lipinski's Rule of Five, 4-(Methylsulfonyl)aniline hydrochloride 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-(Methylsulfonyl)aniline hydrochloride?
The CAS number of 4-(Methylsulfonyl)aniline hydrochloride is 177662-76-9.
What is the molecular formula of 4-(Methylsulfonyl)aniline hydrochloride?
The molecular formula of 4-(Methylsulfonyl)aniline hydrochloride is C7H10ClNO2S.
What is the molecular weight of 4-(Methylsulfonyl)aniline hydrochloride?
The molecular weight of 4-(Methylsulfonyl)aniline hydrochloride is 207.01 g/mol.
Where can I buy 4-(Methylsulfonyl)aniline hydrochloride?
You can request a quote for 4-(Methylsulfonyl)aniline hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfonyl)aniline hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfonyl)aniline hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.