2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile
TL;DR: 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile (CAS 5493-01-6) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzoylpyrrolidin-2-ylidene)propanedinitrile
Also Known As: 2-(1-benzoylpyrrolidin-2-ylidene)propanedinitrile, (1-benzoylpyrrolidin-2-ylidene)propanedinitrile, 2-(1-benzoylpyrrolidin-2-ylidene)malononitrile, RefChem:249709
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.22386 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 559.29694 |
Chemical Identifiers
| CAS Number | 5493-01-6 |
|---|---|
| SMILES | C1CC(=C(C#N)C#N)N(C1)C(=O)C2=CC=CC=C2 |
Product Overview
2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile (CAS 5493-01-6), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: 2-(1-benzoylpyrrolidin-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile
Property Insights of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile
The XLogP value of 2.22386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile. Following Lipinski's Rule of Five, 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile 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 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile?
The CAS number of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile is 5493-01-6.
What is the molecular formula of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile?
The molecular formula of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile is C14H11N3O.
What is the molecular weight of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile?
The molecular weight of 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile is 237.09 g/mol.
Where can I buy 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile?
You can request a quote for 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Benzoylpyrrolidin-2-ylidene)propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.