N-(4-chlorobutylideneamino)-2,4-dinitroaniline
TL;DR: N-(4-chlorobutylideneamino)-2,4-dinitroaniline (CAS 7405-06-3) is a chemical compound with molecular formula C10H11ClN4O4 and molecular weight 286.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chlorobutylideneamino)-2,4-dinitroaniline
Also Known As: N-(4-chlorobutylideneamino)-2,4-dinitroaniline, N-[(E)-4-chlorobutylideneamino]-2,4-dinitroaniline, N-(4-CHLOROBUTYLIDENEAMINO)-2,4-DINITRO-ANILINE
| Molecular Formula | C10H11ClN4O4 |
|---|---|
| Molecular Weight | 286.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 286.04688 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 7405-06-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CCCCCl |
| InChIKey | ZKJPLNDWIOURJS-UHFFFAOYSA-N |
Product Overview
N-(4-chlorobutylideneamino)-2,4-dinitroaniline (CAS 7405-06-3), with molecular formula C10H11ClN4O4 and molecular weight 286.05 g/mol. IUPAC: N-(4-chlorobutylideneamino)-2,4-dinitroaniline.
Chemical Property Profile of N-(4-chlorobutylideneamino)-2,4-dinitroaniline
Property Insights of N-(4-chlorobutylideneamino)-2,4-dinitroaniline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobutylideneamino)-2,4-dinitroaniline. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobutylideneamino)-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-(4-chlorobutylideneamino)-2,4-dinitroaniline has 1 hydrogen bond donor(s) and 6 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-(4-chlorobutylideneamino)-2,4-dinitroaniline?
The CAS number of N-(4-chlorobutylideneamino)-2,4-dinitroaniline is 7405-06-3.
What is the molecular formula of N-(4-chlorobutylideneamino)-2,4-dinitroaniline?
The molecular formula of N-(4-chlorobutylideneamino)-2,4-dinitroaniline is C10H11ClN4O4.
What is the molecular weight of N-(4-chlorobutylideneamino)-2,4-dinitroaniline?
The molecular weight of N-(4-chlorobutylideneamino)-2,4-dinitroaniline is 286.05 g/mol.
Where can I buy N-(4-chlorobutylideneamino)-2,4-dinitroaniline?
You can request a quote for N-(4-chlorobutylideneamino)-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-chlorobutylideneamino)-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobutylideneamino)-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.