5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
TL;DR: 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile (CAS 138967-27-8) is a chemical compound with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile
Also Known As: MNPATCN, 5-Methyl-2-((2-nitrophenyl)amino)thiophene-3-carbonitrile, Not Available, Olanzapine EP Impurity A, TCN Intermediate
| Molecular Formula | C12H9N3O2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04153 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 138967-27-8 |
|---|---|
| SMILES | CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N |
| InChIKey | NPXUFPFFHANGDL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile (CAS 138967-27-8), with molecular formula C12H9N3O2S and molecular weight 259.04 g/mol. IUPAC: 5-methyl-2-(2-nitroanilino)thiophene-3-carbonitrile.
Chemical Property Profile of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
Property Insights of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile
The XLogP value of 4.0 indicates that 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile has 1 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 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile?
The CAS number of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile is 138967-27-8.
What is the molecular formula of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile?
The molecular formula of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile is C12H9N3O2S.
What is the molecular weight of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile?
The molecular weight of 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile is 259.04 g/mol.
Where can I buy 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile?
You can request a quote for 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-((2-nitrophenyl)amino)-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.