![N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline structure](/static/products/6212/62128-02-3.webp)
N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline
TL;DR: N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline (CAS 62128-02-3) is a chemical compound with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-nitrothiophen-2-yl)-N-(4-phenoxyphenyl)methanimine
Also Known As: N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline, BIM-0013431.P001, 1-(5-nitrothiophen-2-yl)-N-(4-phenoxyphenyl)methanimine, AN-329/10000053, Benzenamine, N-[(5-nitro-2-thienyl)methylene]-4-phenoxy-
| Molecular Formula | C17H12N2O3S |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 95.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.05685 |
| Heavy Atoms | 23 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 62128-02-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N=CC3=CC=C(S3)[N+](=O)[O-] |
| InChIKey | ZJARLKAFNKOPSF-UHFFFAOYSA-N |
Product Overview
N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline (CAS 62128-02-3), with molecular formula C17H12N2O3S and molecular weight 324.06 g/mol. IUPAC: 1-(5-nitrothiophen-2-yl)-N-(4-phenoxyphenyl)methanimine.
Chemical Property Profile of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline
Property Insights of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline
The XLogP value of 4.9 indicates that N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline. Following Lipinski's Rule of Five, N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline has 0 hydrogen bond donor(s) and 5 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-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline?
The CAS number of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline is 62128-02-3.
What is the molecular formula of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline?
The molecular formula of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline is C17H12N2O3S.
What is the molecular weight of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline?
The molecular weight of N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline is 324.06 g/mol.
Where can I buy N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline?
You can request a quote for N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-nitro-2-thienyl)methylene]-4-phenoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.