![4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile structure](/static/products/621/62128-07-8.png)
4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile
TL;DR: 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile (CAS 62128-07-8) is a chemical compound with molecular formula C12H7N3O2S and molecular weight 257.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-nitrothiophen-2-yl)methylideneamino]benzonitrile
Also Known As: Nbeta-Acetylstreptothricin E, An 201 I, AN-201 I, 4-{[(e)-(5-nitro-2-thienyl)methylene]amino}benzonitrile, 4-[(5-nitrothiophen-2-yl)methylideneamino]benzonitrile
| Molecular Formula | C12H7N3O2S |
|---|---|
| Molecular Weight | 257.03 g/mol |
| LogP | 3.27858 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.0259 |
| Heavy Atoms | 18 |
| Complexity | 638.0873 |
Chemical Identifiers
| CAS Number | 62128-07-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=CC2=CC=C(S2)[N+](=O)[O-] |
Product Overview
4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile (CAS 62128-07-8), with molecular formula C12H7N3O2S and molecular weight 257.03 g/mol. IUPAC: 4-[(5-nitrothiophen-2-yl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile
Property Insights of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile
The XLogP value of 3.27858 indicates that 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile. Following Lipinski's Rule of Five, 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile 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 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile?
The CAS number of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile is 62128-07-8.
What is the molecular formula of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile?
The molecular formula of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile is C12H7N3O2S.
What is the molecular weight of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile?
The molecular weight of 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile is 257.03 g/mol.
Where can I buy 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile?
You can request a quote for 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(5-Nitrothiophen-2-yl)methylideneamino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.