![N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline structure](/static/products/1647/16478-92-5.webp)
N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline
TL;DR: N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline (CAS 16478-92-5) is a chemical compound with molecular formula C20H26N4O6S and molecular weight 450.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline
Also Known As: 4,4'-Sulfonylbis(N-butyl-2-nitroaniline), N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline, N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroanil
| Molecular Formula | C20H26N4O6S |
|---|---|
| Molecular Weight | 450.16 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.15732 |
| Heavy Atoms | 31 |
| Complexity | 635.0 |
Chemical Identifiers
| CAS Number | 16478-92-5 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)NCCCC)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | LCARYSLQNKYTLH-UHFFFAOYSA-N |
Product Overview
N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline (CAS 16478-92-5), with molecular formula C20H26N4O6S and molecular weight 450.16 g/mol. IUPAC: N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline.
Chemical Property Profile of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline
Property Insights of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline
The XLogP value of 5.9 indicates that N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 158.0 Ų indicates high polarity, suggesting N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline?
The CAS number of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline is 16478-92-5.
What is the molecular formula of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline?
The molecular formula of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline is C20H26N4O6S.
What is the molecular weight of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline?
The molecular weight of N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline is 450.16 g/mol.
Where can I buy N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline?
You can request a quote for N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-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-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-4-[4-(butylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.