N-ethyl-4-methylsulfonyl-2-nitroaniline
TL;DR: N-ethyl-4-methylsulfonyl-2-nitroaniline (CAS 21355-97-5) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-4-methylsulfonyl-2-nitroaniline
Also Known As: N-ethyl-4-methylsulfonyl-2-nitroaniline, n-ethyl-4-(methylsulfonyl)-2-nitro-aniline, N-ethyl-4-methylsulfonyl-2-nitro-aniline, N-ethyl-4-(methylsulfonyl)-2-nitrobenzenamine, Benzenamine, N-ethyl-4-(methylsulfonyl)-2-nitro-
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.4301 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 510.24033 |
Chemical Identifiers
| CAS Number | 21355-97-5 |
|---|---|
| SMILES | CCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
N-ethyl-4-methylsulfonyl-2-nitroaniline (CAS 21355-97-5), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: N-ethyl-4-methylsulfonyl-2-nitroaniline.
Chemical Property Profile of N-ethyl-4-methylsulfonyl-2-nitroaniline
Property Insights of N-ethyl-4-methylsulfonyl-2-nitroaniline
The XLogP value of 1.4301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-ethyl-4-methylsulfonyl-2-nitroaniline. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-ethyl-4-methylsulfonyl-2-nitroaniline. Following Lipinski's Rule of Five, N-ethyl-4-methylsulfonyl-2-nitroaniline has 1 hydrogen bond donor(s) and 5 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-ethyl-4-methylsulfonyl-2-nitroaniline?
The CAS number of N-ethyl-4-methylsulfonyl-2-nitroaniline is 21355-97-5.
What is the molecular formula of N-ethyl-4-methylsulfonyl-2-nitroaniline?
The molecular formula of N-ethyl-4-methylsulfonyl-2-nitroaniline is C9H12N2O4S.
What is the molecular weight of N-ethyl-4-methylsulfonyl-2-nitroaniline?
The molecular weight of N-ethyl-4-methylsulfonyl-2-nitroaniline is 244.05 g/mol.
Where can I buy N-ethyl-4-methylsulfonyl-2-nitroaniline?
You can request a quote for N-ethyl-4-methylsulfonyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-ethyl-4-methylsulfonyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-ethyl-4-methylsulfonyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.