N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide
TL;DR: N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide (CAS 791844-57-0) is a chemical compound with molecular formula C13H21NO3S and molecular weight 271.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide
Also Known As: N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide, N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide, F1773-0285, AP-263/43028274, (tert-butyl)[(4-ethoxy-3-methylphenyl)sulfonyl]amine
| Molecular Formula | C13H21NO3S |
|---|---|
| Molecular Weight | 271.12 g/mol |
| LogP | 2.47052 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.1242 |
| Heavy Atoms | 18 |
| Complexity | 515.52814 |
Chemical Identifiers
| CAS Number | 791844-57-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C |
Product Overview
N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide (CAS 791844-57-0), with molecular formula C13H21NO3S and molecular weight 271.12 g/mol. IUPAC: N-tert-butyl-4-ethoxy-3-methylbenzenesulfonamide.
Chemical Property Profile of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide
Property Insights of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide
The XLogP value of 2.47052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide. With a topological polar surface area (TPSA) of 55.4 Ų, N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide 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 N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide?
The CAS number of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide is 791844-57-0.
What is the molecular formula of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide?
The molecular formula of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide is C13H21NO3S.
What is the molecular weight of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide?
The molecular weight of N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide is 271.12 g/mol.
Where can I buy N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide?
You can request a quote for N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(tert-butyl)-4-ethoxy-3-methylbenzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.