![3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline structure](/static/products/303/303215-60-3.png)
3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
TL;DR: 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline (CAS 303215-60-3) is a chemical compound with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dimethylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
Also Known As: BAS 00548760, (3,4-dimethylphenyl)[(5-nitro-2-thienyl)methylene]amine, (3,4-Dimethyl-phenyl)-(5-nitro-thiophen-2-ylmethylene)-amine, 5-[(1E)-2-(3,4-dimethylphenyl)-2-azavinyl]-2-nitrothiophene, N-(3,4-dimethylphenyl)-1-(5-nitrothiophen-2-yl)methanimine
| Molecular Formula | C13H12N2O2S |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 260.06195 |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 303215-60-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=CC2=CC=C(S2)[N+](=O)[O-])C |
| InChIKey | AOEAXDTXVGWJNS-UHFFFAOYSA-N |
Product Overview
3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline (CAS 303215-60-3), with molecular formula C13H12N2O2S and molecular weight 260.06 g/mol. IUPAC: N-(3,4-dimethylphenyl)-1-(5-nitrothiophen-2-yl)methanimine.
Chemical Property Profile of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
Property Insights of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline
The XLogP value of 4.1 indicates that 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline 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 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline. Following Lipinski's Rule of Five, 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline 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 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline?
The CAS number of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline is 303215-60-3.
What is the molecular formula of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline?
The molecular formula of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline is C13H12N2O2S.
What is the molecular weight of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline?
The molecular weight of 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline is 260.06 g/mol.
Where can I buy 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline?
You can request a quote for 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dimethyl-N-[(E)-(5-nitrothiophen-2-yl)methylidene]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.