![4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline structure](/static/products/1643/16431-72-4.webp)
4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline
TL;DR: 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline (CAS 16431-72-4) is a chemical compound with molecular formula C16H18N4O6S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline
Also Known As: 4,4'-Sulfonylbis(N,N-dimethyl-2-nitroaniline), 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline, 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-n
| Molecular Formula | C16H18N4O6S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.0947 |
| Heavy Atoms | 27 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 16431-72-4 |
|---|---|
| SMILES | CN(C)C1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WZHASEPETPXIPG-UHFFFAOYSA-N |
Product Overview
4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline (CAS 16431-72-4), with molecular formula C16H18N4O6S and molecular weight 394.09 g/mol. IUPAC: 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline.
Chemical Property Profile of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline
Property Insights of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline. The TPSA of 141.0 Ų indicates high polarity, suggesting 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline has 0 hydrogen bond donor(s) and 8 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-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline?
The CAS number of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline is 16431-72-4.
What is the molecular formula of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline?
The molecular formula of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline is C16H18N4O6S.
What is the molecular weight of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline?
The molecular weight of 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline is 394.09 g/mol.
Where can I buy 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline?
You can request a quote for 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(dimethylamino)-3-nitrophenyl]sulfonyl-N,N-dimethyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.