N-isobutyl-3,4-dimethylbenzenesulfonamide
TL;DR: N-isobutyl-3,4-dimethylbenzenesulfonamide (CAS 898075-27-9) is a chemical compound with molecular formula C12H19NO2S and molecular weight 241.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide
Also Known As: N-isobutyl-3,4-dimethylbenzenesulfonamide, 3,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide, AP-263/43418811, [(3,4-dimethylphenyl)sulfonyl](2-methylpropyl)amine, 3,4-dimethyl-N-(2-methylpropyl)benzene-1-sulfonamide
| Molecular Formula | C12H19NO2S |
|---|---|
| Molecular Weight | 241.11 g/mol |
| LogP | 2.23774 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.11365 |
| Heavy Atoms | 16 |
| Complexity | 463.90714 |
Chemical Identifiers
| CAS Number | 898075-27-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCC(C)C)C |
Product Overview
N-isobutyl-3,4-dimethylbenzenesulfonamide (CAS 898075-27-9), with molecular formula C12H19NO2S and molecular weight 241.11 g/mol. IUPAC: 3,4-dimethyl-N-(2-methylpropyl)benzenesulfonamide.
Chemical Property Profile of N-isobutyl-3,4-dimethylbenzenesulfonamide
Property Insights of N-isobutyl-3,4-dimethylbenzenesulfonamide
The XLogP value of 2.23774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-isobutyl-3,4-dimethylbenzenesulfonamide. With a topological polar surface area (TPSA) of 46.17 Ų, N-isobutyl-3,4-dimethylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-isobutyl-3,4-dimethylbenzenesulfonamide has 1 hydrogen bond donor(s) and 2 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-isobutyl-3,4-dimethylbenzenesulfonamide?
The CAS number of N-isobutyl-3,4-dimethylbenzenesulfonamide is 898075-27-9.
What is the molecular formula of N-isobutyl-3,4-dimethylbenzenesulfonamide?
The molecular formula of N-isobutyl-3,4-dimethylbenzenesulfonamide is C12H19NO2S.
What is the molecular weight of N-isobutyl-3,4-dimethylbenzenesulfonamide?
The molecular weight of N-isobutyl-3,4-dimethylbenzenesulfonamide is 241.11 g/mol.
Where can I buy N-isobutyl-3,4-dimethylbenzenesulfonamide?
You can request a quote for N-isobutyl-3,4-dimethylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-isobutyl-3,4-dimethylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-isobutyl-3,4-dimethylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.