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N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline
TL;DR: N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline (CAS 300829-55-4) is a chemical compound with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline
Also Known As: N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline, BAS 00571131, N-butyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline, Butyl-[2-nitro-4-(3-nitro-benzenesulfonyl)-phenyl]-amine
| Molecular Formula | C16H17N3O6S |
|---|---|
| Molecular Weight | 379.08 g/mol |
| LogP | 3.5478 |
| Topological Polar Surface Area | 132.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 379.0838 |
| Heavy Atoms | 26 |
| Complexity | 942.7513 |
Chemical Identifiers
| CAS Number | 300829-55-4 |
|---|---|
| SMILES | CCCCNC1=C(C=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline (CAS 300829-55-4), with molecular formula C16H17N3O6S and molecular weight 379.08 g/mol. IUPAC: N-butyl-2-nitro-4-(3-nitrophenyl)sulfonylaniline.
Chemical Property Profile of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline
Property Insights of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline
The XLogP value of 3.5478 indicates that N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline. Following Lipinski's Rule of Five, N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline has 1 hydrogen bond donor(s) and 7 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-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline?
The CAS number of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline is 300829-55-4.
What is the molecular formula of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline?
The molecular formula of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline is C16H17N3O6S.
What is the molecular weight of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline?
The molecular weight of N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline is 379.08 g/mol.
Where can I buy N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline?
You can request a quote for N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-2-nitro-4-[(3-nitrophenyl)sulfonyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.