2-Amino-3-cyano-4-methyl-5-phenylthiophene
TL;DR: 2-Amino-3-cyano-4-methyl-5-phenylthiophene (CAS 42160-26-9) is a chemical compound with molecular formula C12H10N2S and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methyl-5-phenylthiophene-3-carbonitrile
Also Known As: 2-Amino-4-methyl-5-phenylthiophene-3-carbonitrile, Maybridge3_001212, 2-Amino-4-methyl-5-phenyl-3-thiophenecarbonitrile, 2-Amino-3-cyano-4-methyl-5-phenylthiophene, IDI1_012599
| Molecular Formula | C12H10N2S |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 214.05647 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 42160-26-9 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)N)C2=CC=CC=C2 |
| InChIKey | ALTJGNDYZQYJSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-3-cyano-4-methyl-5-phenylthiophene (CAS 42160-26-9), with molecular formula C12H10N2S and molecular weight 214.06 g/mol. IUPAC: 2-amino-4-methyl-5-phenylthiophene-3-carbonitrile.
Chemical Property Profile of 2-Amino-3-cyano-4-methyl-5-phenylthiophene
Property Insights of 2-Amino-3-cyano-4-methyl-5-phenylthiophene
The XLogP value of 3.6 indicates that 2-Amino-3-cyano-4-methyl-5-phenylthiophene 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-3-cyano-4-methyl-5-phenylthiophene. Following Lipinski's Rule of Five, 2-Amino-3-cyano-4-methyl-5-phenylthiophene 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-3-cyano-4-methyl-5-phenylthiophene?
The CAS number of 2-Amino-3-cyano-4-methyl-5-phenylthiophene is 42160-26-9.
What is the molecular formula of 2-Amino-3-cyano-4-methyl-5-phenylthiophene?
The molecular formula of 2-Amino-3-cyano-4-methyl-5-phenylthiophene is C12H10N2S.
What is the molecular weight of 2-Amino-3-cyano-4-methyl-5-phenylthiophene?
The molecular weight of 2-Amino-3-cyano-4-methyl-5-phenylthiophene is 214.06 g/mol.
Where can I buy 2-Amino-3-cyano-4-methyl-5-phenylthiophene?
You can request a quote for 2-Amino-3-cyano-4-methyl-5-phenylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-3-cyano-4-methyl-5-phenylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-3-cyano-4-methyl-5-phenylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.