![3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile structure](/static/products/354/354993-64-9.png)
3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile
TL;DR: 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile (CAS 354993-64-9) is a chemical compound with molecular formula C13H12N4S and molecular weight 256.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(2-cyanoethylsulfanyl)benzimidazol-1-yl]propanenitrile
Also Known As: AJ-292/14244081, 3-[2-(2-cyanoethylthio)benzimidazolyl]propanenitrile, 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile, 3-[2-(2-cyanoethylsulfanyl)benzimidazol-1-yl]propanenitrile, 3-((1-(2-cyanoethyl)-1H-benzo[d]imidazol-2-yl)thio)propanenitrile
| Molecular Formula | C13H12N4S |
|---|---|
| Molecular Weight | 256.08 g/mol |
| LogP | 2.95576 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.07828 |
| Heavy Atoms | 18 |
| Complexity | 617.9335 |
Chemical Identifiers
| CAS Number | 354993-64-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CCC#N)SCCC#N |
Product Overview
3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile (CAS 354993-64-9), with molecular formula C13H12N4S and molecular weight 256.08 g/mol. IUPAC: 3-[2-(2-cyanoethylsulfanyl)benzimidazol-1-yl]propanenitrile.
Chemical Property Profile of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile
Property Insights of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile
The XLogP value of 2.95576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile. Following Lipinski's Rule of Five, 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile 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 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile?
The CAS number of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile is 354993-64-9.
What is the molecular formula of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile?
The molecular formula of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile is C13H12N4S.
What is the molecular weight of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile?
The molecular weight of 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile is 256.08 g/mol.
Where can I buy 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile?
You can request a quote for 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-{[1-(2-cyanoethyl)-1H-benzimidazol-2-yl]sulfanyl}propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.