![2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene structure](/static/products/421/42160-32-7.png)
2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene
TL;DR: 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene (CAS 42160-32-7) is a chemical compound with molecular formula C12H9ClN2S and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carbonitrile
Also Known As: BB 0249804, 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene, 3-Thiophenecarbonitrile, 2-amino-4-(4-chlorophenyl)-5-methyl-, 2-Amino-4-(4-chlorophenyl)-5-methyl-3-thiophenecarbonitrile #, 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carbonitrile
| Molecular Formula | C12H9ClN2S |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.0175 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 42160-32-7 |
|---|---|
| SMILES | CC1=C(C(=C(S1)N)C#N)C2=CC=C(C=C2)Cl |
| InChIKey | WTINCAJNWAQTES-UHFFFAOYSA-N |
Product Overview
2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene (CAS 42160-32-7), with molecular formula C12H9ClN2S and molecular weight 248.02 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-5-methylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene
Property Insights of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene
The XLogP value of 4.2 indicates that 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene 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-4-[4-chlorophenyl]-3-cyano-5-methylthiophene. Following Lipinski's Rule of Five, 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene 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-4-[4-chlorophenyl]-3-cyano-5-methylthiophene?
The CAS number of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene is 42160-32-7.
What is the molecular formula of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene?
The molecular formula of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene is C12H9ClN2S.
What is the molecular weight of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene?
The molecular weight of 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene is 248.02 g/mol.
Where can I buy 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene?
You can request a quote for 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4-[4-chlorophenyl]-3-cyano-5-methylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.