![2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile structure](/static/products/577/577762-84-6.png)
2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
TL;DR: 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile (CAS 577762-84-6) is a chemical compound with molecular formula C16H16N6S and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile
Also Known As: 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile, 2-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile, (E)-2-(3-(((4H-1,2,4-triazol-4-yl)imino)methyl)-2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile, 2-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)-1-pyrrolyl]-4,5-dimethyl-3-thiophenecarbonitrile, 2-[2,5-dimethyl-3-(1,2,4-triazol-4-yliminomethyl)pyrrol-1-yl]-4,5-dimethyl-thiophene-3-carbonitrile
| Molecular Formula | C16H16N6S |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 3.11786 |
| Topological Polar Surface Area | 71.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.11572 |
| Heavy Atoms | 23 |
| Complexity | 921.0729 |
Chemical Identifiers
| CAS Number | 577762-84-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=C(C(=C(S2)C)C)C#N)C)/C=N/N3C=NN=C3 |
Product Overview
2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile (CAS 577762-84-6), with molecular formula C16H16N6S and molecular weight 324.12 g/mol. IUPAC: 2-[2,5-dimethyl-3-[(E)-1,2,4-triazol-4-yliminomethyl]pyrrol-1-yl]-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
Property Insights of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile
The XLogP value of 3.11786 indicates that 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile has 0 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 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile?
The CAS number of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile is 577762-84-6.
What is the molecular formula of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile?
The molecular formula of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile is C16H16N6S.
What is the molecular weight of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile?
The molecular weight of 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile is 324.12 g/mol.
Where can I buy 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile?
You can request a quote for 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{2,5-dimethyl-3-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]-1H-pyrrol-1-yl}-4,5-dimethylthiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.