N,N-dimethyl-4-methylsulfonyl-2-nitroaniline
TL;DR: N,N-dimethyl-4-methylsulfonyl-2-nitroaniline (CAS 81676-65-5) 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,N-dimethyl-4-methylsulfonyl-2-nitroaniline
Also Known As: N,N-dimethyl-4-methylsulfonyl-2-nitroaniline, Methyl-[3-nitro-4-dimethylamino-phenyl]-sulfon
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 1.0643 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 522.31055 |
Chemical Identifiers
| CAS Number | 81676-65-5 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
N,N-dimethyl-4-methylsulfonyl-2-nitroaniline (CAS 81676-65-5), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: N,N-dimethyl-4-methylsulfonyl-2-nitroaniline.
Chemical Property Profile of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline
Property Insights of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline
The XLogP value of 1.0643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N-dimethyl-4-methylsulfonyl-2-nitroaniline. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for N,N-dimethyl-4-methylsulfonyl-2-nitroaniline. Following Lipinski's Rule of Five, N,N-dimethyl-4-methylsulfonyl-2-nitroaniline has 0 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,N-dimethyl-4-methylsulfonyl-2-nitroaniline?
The CAS number of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline is 81676-65-5.
What is the molecular formula of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline?
The molecular formula of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline is C9H12N2O4S.
What is the molecular weight of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline?
The molecular weight of N,N-dimethyl-4-methylsulfonyl-2-nitroaniline is 244.05 g/mol.
Where can I buy N,N-dimethyl-4-methylsulfonyl-2-nitroaniline?
You can request a quote for N,N-dimethyl-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,N-dimethyl-4-methylsulfonyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N,N-dimethyl-4-methylsulfonyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.