2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile
TL;DR: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile (CAS 340319-53-1) is a chemical compound with molecular formula C13H14N2S and molecular weight 230.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile
Also Known As: 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile, AM-879/40332048, 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thienyl cyanide
| Molecular Formula | C13H14N2S |
|---|---|
| Molecular Weight | 230.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 57.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.08777 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 340319-53-1 |
|---|---|
| SMILES | CC1=CC=C(N1C2=C(C(=C(S2)C)C)C#N)C |
| InChIKey | WDYUNUCVUSFZSB-UHFFFAOYSA-N |
Product Overview
2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile (CAS 340319-53-1), with molecular formula C13H14N2S and molecular weight 230.09 g/mol. IUPAC: 2-(2,5-dimethylpyrrol-1-yl)-4,5-dimethylthiophene-3-carbonitrile.
Chemical Property Profile of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile
Property Insights of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile
The XLogP value of 3.6 indicates that 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.0 Ų, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile has 0 hydrogen bond donor(s) and 2 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-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile?
The CAS number of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile is 340319-53-1.
What is the molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile?
The molecular formula of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile is C13H14N2S.
What is the molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile?
The molecular weight of 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile is 230.09 g/mol.
Where can I buy 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile?
You can request a quote for 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-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-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-dimethyl-1H-pyrrol-1-yl)-4,5-dimethyl-3-thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.