N,N,4-三甲基苯磺酰胺
TL;DR: N,N,4-三甲基苯磺酰胺 (CAS 599-69-9) 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.
N,N,4-三甲基苯磺酰胺
N,N,4-trimethylbenzenesulfonamide
Also Known As: N,N,4-trimethylbenzenesulfonamide, N,N-DIMETHYL-P-TOLUENESULFONAMIDE, Piloty's acid, Benzenesulfonamide, N,N,4-trimethyl-, p-Toluenesulfonamide, N,N-dimethyl-
| Molecular Formula | C9H13NO2S |
|---|---|
| Molecular Weight | 199.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.0667 |
| Heavy Atoms | 13 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 599-69-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(C)C |
| InChIKey | WZKOKGOAHBIPCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N,N,4-三甲基苯磺酰胺 (CAS 599-69-9), with molecular formula C9H13NO2S and molecular weight 199.07 g/mol. IUPAC: N,N,4-trimethylbenzenesulfonamide.
Chemical Property Profile of N,N,4-三甲基苯磺酰胺
Property Insights of N,N,4-三甲基苯磺酰胺
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,4-三甲基苯磺酰胺. With a topological polar surface area (TPSA) of 45.8 Ų, N,N,4-三甲基苯磺酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,4-三甲基苯磺酰胺 has 0 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 N,N,4-三甲基苯磺酰胺?
The CAS number of N,N,4-三甲基苯磺酰胺 is 599-69-9.
What is the molecular formula of N,N,4-三甲基苯磺酰胺?
The molecular formula of N,N,4-三甲基苯磺酰胺 is C9H13NO2S.
What is the molecular weight of N,N,4-三甲基苯磺酰胺?
The molecular weight of N,N,4-三甲基苯磺酰胺 is 199.07 g/mol.
Where can I buy N,N,4-三甲基苯磺酰胺?
You can request a quote for N,N,4-三甲基苯磺酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N,4-三甲基苯磺酰胺?
Yes, KEHONG BIO provides custom synthesis services for N,N,4-三甲基苯磺酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.