4-Methyl-N-(tosyl)-2-bromoaniline
TL;DR: 4-Methyl-N-(tosyl)-2-bromoaniline (CAS 87995-68-4) is a chemical compound with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromo-4-methylphenyl)-4-methylbenzenesulfonamide
Also Known As: 4-Methyl-N-(tosyl)-2-bromoaniline, N-(2-bromo-4-methylphenyl)-4-methylbenzenesulfonamide, Benzenesulfonamide, N-(2-bromo-4-methylphenyl)-4-methyl-, N-(2-bromo-4-methylphenyl)-4-methylbenzene-1-sulfonamide, RefChem:382818
| Molecular Formula | C14H14BrNO2S |
|---|---|
| Molecular Weight | 338.99 g/mol |
| LogP | 3.86674 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.99286 |
| Heavy Atoms | 19 |
| Complexity | 693.8859 |
Chemical Identifiers
| CAS Number | 87995-68-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C)Br |
Product Overview
4-Methyl-N-(tosyl)-2-bromoaniline (CAS 87995-68-4), with molecular formula C14H14BrNO2S and molecular weight 338.99 g/mol. IUPAC: N-(2-bromo-4-methylphenyl)-4-methylbenzenesulfonamide.
Chemical Property Profile of 4-Methyl-N-(tosyl)-2-bromoaniline
Property Insights of 4-Methyl-N-(tosyl)-2-bromoaniline
The XLogP value of 3.86674 indicates that 4-Methyl-N-(tosyl)-2-bromoaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 4-Methyl-N-(tosyl)-2-bromoaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-N-(tosyl)-2-bromoaniline 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 4-Methyl-N-(tosyl)-2-bromoaniline?
The CAS number of 4-Methyl-N-(tosyl)-2-bromoaniline is 87995-68-4.
What is the molecular formula of 4-Methyl-N-(tosyl)-2-bromoaniline?
The molecular formula of 4-Methyl-N-(tosyl)-2-bromoaniline is C14H14BrNO2S.
What is the molecular weight of 4-Methyl-N-(tosyl)-2-bromoaniline?
The molecular weight of 4-Methyl-N-(tosyl)-2-bromoaniline is 338.99 g/mol.
Where can I buy 4-Methyl-N-(tosyl)-2-bromoaniline?
You can request a quote for 4-Methyl-N-(tosyl)-2-bromoaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-N-(tosyl)-2-bromoaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-N-(tosyl)-2-bromoaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.