![4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline structure](/static/products/314/314279-59-9.png)
4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline
TL;DR: 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline (CAS 314279-59-9) is a chemical compound with molecular formula C11H6ClN3O4S and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-1-(5-nitrothiophen-2-yl)methanimine
Also Known As: 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline, AN-329/11481384, N-(4-chloro-3-nitrophenyl)-1-(5-nitrothiophen-2-yl)methanimine, (4-chloro-3-nitrophenyl)[(5-nitro-2-thienyl)methylene]amine, Thiophene, 2-(4-chloro-3-nitrophenyliminomethyl)-5-nitro-
| Molecular Formula | C11H6ClN3O4S |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.97675 |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 314279-59-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1N=CC2=CC=C(S2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| InChIKey | WCQYZBJTRVFALE-UHFFFAOYSA-N |
Product Overview
4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline (CAS 314279-59-9), with molecular formula C11H6ClN3O4S and molecular weight 310.98 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-1-(5-nitrothiophen-2-yl)methanimine.
Chemical Property Profile of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline
Property Insights of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline
The XLogP value of 3.9 indicates that 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline. Following Lipinski's Rule of Five, 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline has 0 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 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline?
The CAS number of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline is 314279-59-9.
What is the molecular formula of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline?
The molecular formula of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline is C11H6ClN3O4S.
What is the molecular weight of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline?
The molecular weight of 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline is 310.98 g/mol.
Where can I buy 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline?
You can request a quote for 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-3-nitro-N-[(5-nitro-2-thienyl)methylene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.