间甲苯磺酰胺
TL;DR: 间甲苯磺酰胺 (CAS 1899-94-1) is a chemical compound with molecular formula C7H9NO2S and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间甲苯磺酰胺
3-methylbenzenesulfonamide
Also Known As: 3-methylbenzenesulfonamide, m-Toluenesulphonamide, Benzenesulfonamide, 3-methyl-, m-toluenesulfonamide, 3-methylbenzene-1-sulfonamide
| Molecular Formula | C7H9NO2S |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.0354 |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 1899-94-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)N |
| InChIKey | NVZINPVISUVPHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间甲苯磺酰胺 (CAS 1899-94-1), with molecular formula C7H9NO2S and molecular weight 171.04 g/mol. IUPAC: 3-methylbenzenesulfonamide.
Chemical Property Profile of 间甲苯磺酰胺
Property Insights of 间甲苯磺酰胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间甲苯磺酰胺. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 间甲苯磺酰胺. Following Lipinski's Rule of Five, 间甲苯磺酰胺 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 间甲苯磺酰胺?
The CAS number of 间甲苯磺酰胺 is 1899-94-1.
What is the molecular formula of 间甲苯磺酰胺?
The molecular formula of 间甲苯磺酰胺 is C7H9NO2S.
What is the molecular weight of 间甲苯磺酰胺?
The molecular weight of 间甲苯磺酰胺 is 171.04 g/mol.
Where can I buy 间甲苯磺酰胺?
You can request a quote for 间甲苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间甲苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for 间甲苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.