2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
TL;DR: 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (CAS 104030-31-1) is a chemical compound with molecular formula C14H9N3S and molecular weight 251.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Also Known As: Maybridge1_003925, 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile, (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-(thiophen-2-yl)prop-2-enenitrile
| Molecular Formula | C14H9N3S |
|---|---|
| Molecular Weight | 251.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 251.05171 |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 104030-31-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC=CS3)C#N |
| InChIKey | MDVSLHGZTWHJMW-UHFFFAOYSA-N |
Product Overview
2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile (CAS 104030-31-1), with molecular formula C14H9N3S and molecular weight 251.05 g/mol. IUPAC: 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
Property Insights of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile
The XLogP value of 3.0 indicates that 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile. Following Lipinski's Rule of Five, 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile 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-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The CAS number of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is 104030-31-1.
What is the molecular formula of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The molecular formula of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is C14H9N3S.
What is the molecular weight of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
The molecular weight of 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile is 251.05 g/mol.
Where can I buy 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
You can request a quote for 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-benzimidazol-2-yl)-3-thiophen-2-ylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.