4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile
TL;DR: 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile (CAS 339111-65-8) is a chemical compound with molecular formula C15H12N4S and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-phenylthiophene-2-carbonitrile
Also Known As: 9J-029, 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile, 4-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-phenylthiophene-2-carbonitrile, 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenylthiophene-2-carbonitrile
| Molecular Formula | C15H12N4S |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 3.3907 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.07828 |
| Heavy Atoms | 20 |
| Complexity | 793.1405 |
Chemical Identifiers
| CAS Number | 339111-65-8 |
|---|---|
| SMILES | CC1=C(SC(=C1C2=CC=CC=C2)C#N)C3=NN(C=N3)C |
Product Overview
4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile (CAS 339111-65-8), with molecular formula C15H12N4S and molecular weight 280.08 g/mol. IUPAC: 4-methyl-5-(1-methyl-1,2,4-triazol-3-yl)-3-phenylthiophene-2-carbonitrile.
Chemical Property Profile of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile
Property Insights of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile
The XLogP value of 3.3907 indicates that 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile has 0 hydrogen bond donor(s) and 4 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-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile?
The CAS number of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile is 339111-65-8.
What is the molecular formula of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile?
The molecular formula of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile is C15H12N4S.
What is the molecular weight of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile?
The molecular weight of 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile is 280.08 g/mol.
Where can I buy 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile?
You can request a quote for 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-5-(1-methyl-1H-1,2,4-triazol-3-yl)-3-phenyl-2-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.