(4-Methylsulfonylphenyl)methylazanium;chloride
TL;DR: (4-Methylsulfonylphenyl)methylazanium;chloride (CAS 98593-51-2) is a chemical compound with molecular formula C8H12ClNO2S and molecular weight 221.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfonylphenyl)methylazanium chloride
Also Known As: Dregeoside Da1, p-Methylsulphonylbenzylamine hydrochloride, 4-methylsulfonylbenzylamine hydrochloride, (4-methylsulfonylphenyl)methylazanium;chloride, p-(Methylsulfonyl)benzylamine hydrochloride
| Molecular Formula | C8H12ClNO2S |
|---|---|
| Molecular Weight | 221.03 g/mol |
| LogP | -3.16 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.02773 |
| Heavy Atoms | 13 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 98593-51-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C[NH3+].[Cl-] |
| InChIKey | NRXMOYDZMKXKMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Methylsulfonylphenyl)methylazanium;chloride (CAS 98593-51-2), with molecular formula C8H12ClNO2S and molecular weight 221.03 g/mol. IUPAC: (4-methylsulfonylphenyl)methylazanium chloride.
Chemical Property Profile of (4-Methylsulfonylphenyl)methylazanium;chloride
Property Insights of (4-Methylsulfonylphenyl)methylazanium;chloride
The XLogP value of -3.16 indicates that (4-Methylsulfonylphenyl)methylazanium;chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methylsulfonylphenyl)methylazanium;chloride. Following Lipinski's Rule of Five, (4-Methylsulfonylphenyl)methylazanium;chloride 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-Methylsulfonylphenyl)methylazanium;chloride?
The CAS number of (4-Methylsulfonylphenyl)methylazanium;chloride is 98593-51-2.
What is the molecular formula of (4-Methylsulfonylphenyl)methylazanium;chloride?
The molecular formula of (4-Methylsulfonylphenyl)methylazanium;chloride is C8H12ClNO2S.
What is the molecular weight of (4-Methylsulfonylphenyl)methylazanium;chloride?
The molecular weight of (4-Methylsulfonylphenyl)methylazanium;chloride is 221.03 g/mol.
Where can I buy (4-Methylsulfonylphenyl)methylazanium;chloride?
You can request a quote for (4-Methylsulfonylphenyl)methylazanium;chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methylsulfonylphenyl)methylazanium;chloride?
Yes, KEHONG BIO provides custom synthesis services for (4-Methylsulfonylphenyl)methylazanium;chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.