![(3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine structure](/static/products/1164/1164512-95-1.webp)
(3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine
TL;DR: (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine (CAS 1164512-95-1) is a chemical compound with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
Also Known As: (3-chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine, AN-329/11378302, N-(3-chloro-2-methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine, 3-chloro-2-methyl-N-[(5-nitro-2-thienyl)methylene]aniline, (3-chloro-2-methyl-phenyl)-[(5-nitro-2-thienyl)methylene]amine
| Molecular Formula | C12H9ClN2O2S |
|---|---|
| Molecular Weight | 280.01 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.00732 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 1164512-95-1 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N=CC2=CC=C(S2)[N+](=O)[O-] |
| InChIKey | LCFMMCZJLLMLQO-UHFFFAOYSA-N |
Product Overview
(3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine (CAS 1164512-95-1), with molecular formula C12H9ClN2O2S and molecular weight 280.01 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-1-(5-nitrothiophen-2-yl)methanimine.
Chemical Property Profile of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine
Property Insights of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine
The XLogP value of 4.4 indicates that (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine. Following Lipinski's Rule of Five, (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine has 0 hydrogen bond donor(s) and 4 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 (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine?
The CAS number of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine is 1164512-95-1.
What is the molecular formula of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine?
The molecular formula of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine is C12H9ClN2O2S.
What is the molecular weight of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine?
The molecular weight of (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine is 280.01 g/mol.
Where can I buy (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine?
You can request a quote for (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloro-2-methylphenyl)[(5-nitro-2-thienyl)methylene]amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.