![3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile structure](/static/products/5653/56534-17-9.webp)
3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile
TL;DR: 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile (CAS 56534-17-9) is a chemical compound with molecular formula C13H12N4O and molecular weight 240.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(2-cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile
Also Known As: ChemDiv2_000245, BAS 00444206, 3-[3-(2-cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile, 3,3'-(2-oxo-1H-benzimidazole-1,3(2H)-diyl)dipropanenitrile, 3,3'-(2-oxo-1H-benzo[d]imidazole-1,3(2H)-diyl)dipropanenitrile
| Molecular Formula | C13H12N4O |
|---|---|
| Molecular Weight | 240.10 g/mol |
| LogP | 1.63036 |
| Topological Polar Surface Area | 74.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.1011 |
| Heavy Atoms | 18 |
| Complexity | 638.32025 |
Chemical Identifiers
| CAS Number | 56534-17-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)N2CCC#N)CCC#N |
Product Overview
3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile (CAS 56534-17-9), with molecular formula C13H12N4O and molecular weight 240.10 g/mol. IUPAC: 3-[3-(2-cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile.
Chemical Property Profile of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile
Property Insights of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile
The XLogP value of 1.63036 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile. The TPSA of 74.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile. Following Lipinski's Rule of Five, 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile has 0 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 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile?
The CAS number of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile is 56534-17-9.
What is the molecular formula of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile?
The molecular formula of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile is C13H12N4O.
What is the molecular weight of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile?
The molecular weight of 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile is 240.10 g/mol.
Where can I buy 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile?
You can request a quote for 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(2-Cyanoethyl)-2-oxobenzimidazol-1-yl]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.