2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile
TL;DR: 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile (CAS 42160-27-0) is a chemical compound with molecular formula C12H8Cl2N2S and molecular weight 281.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-5-(3,4-dichlorophenyl)-4-methylthiophene-3-carbonitrile
Also Known As: 2-Amino-5-[3,4-dichlorophenyl]-3-cyano-4-methylthiophenen, 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile, 2-amino-5-(3,4-dichlorophenyl)-4-methylthiophene-3-carbonitrile, 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile #, RefChem:255638
| Molecular Formula | C12H8Cl2N2S |
|---|---|
| Molecular Weight | 281.98 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.97852 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 42160-27-0 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | VYZUOVWIIGHWMT-UHFFFAOYSA-N |
Product Overview
2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile (CAS 42160-27-0), with molecular formula C12H8Cl2N2S and molecular weight 281.98 g/mol. IUPAC: 2-amino-5-(3,4-dichlorophenyl)-4-methylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile
Property Insights of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile
The XLogP value of 4.8 indicates that 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile. Following Lipinski's Rule of Five, 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile has 1 hydrogen bond donor(s) and 3 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 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile?
The CAS number of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile is 42160-27-0.
What is the molecular formula of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile?
The molecular formula of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile is C12H8Cl2N2S.
What is the molecular weight of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile?
The molecular weight of 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile is 281.98 g/mol.
Where can I buy 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile?
You can request a quote for 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-5-(3,4-dichlorophenyl)-4-methyl-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.