1-Benzoyl-N-cyano-2-pyrrolidinimine
TL;DR: 1-Benzoyl-N-cyano-2-pyrrolidinimine (CAS 159383-38-7) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzoylpyrrolidin-2-ylidene)cyanamide
Also Known As: 1-Benzoyl-2-cyaniminopyrrolidine, 1-Benzoyl-N-cyano-2-pyrrolidinimine, 2-Pyrrolidinimine, 1-benzoyl-N-cyano-, (1-benzoyl-2-pyrrolidinylidene)cyanamide, 1-Benzoyl-N-cyanopyrrolidin-2-imine
| Molecular Formula | C12H11N3O |
|---|---|
| Molecular Weight | 213.09 g/mol |
| LogP | 1.80218 |
| Topological Polar Surface Area | 56.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.09021 |
| Heavy Atoms | 16 |
| Complexity | 458.90225 |
Chemical Identifiers
| CAS Number | 159383-38-7 |
|---|---|
| SMILES | C1CC(=NC#N)N(C1)C(=O)C2=CC=CC=C2 |
Product Overview
1-Benzoyl-N-cyano-2-pyrrolidinimine (CAS 159383-38-7), with molecular formula C12H11N3O and molecular weight 213.09 g/mol. IUPAC: (1-benzoylpyrrolidin-2-ylidene)cyanamide.
Chemical Property Profile of 1-Benzoyl-N-cyano-2-pyrrolidinimine
Property Insights of 1-Benzoyl-N-cyano-2-pyrrolidinimine
The XLogP value of 1.80218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-N-cyano-2-pyrrolidinimine. With a topological polar surface area (TPSA) of 56.46 Ų, 1-Benzoyl-N-cyano-2-pyrrolidinimine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-N-cyano-2-pyrrolidinimine 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 1-Benzoyl-N-cyano-2-pyrrolidinimine?
The CAS number of 1-Benzoyl-N-cyano-2-pyrrolidinimine is 159383-38-7.
What is the molecular formula of 1-Benzoyl-N-cyano-2-pyrrolidinimine?
The molecular formula of 1-Benzoyl-N-cyano-2-pyrrolidinimine is C12H11N3O.
What is the molecular weight of 1-Benzoyl-N-cyano-2-pyrrolidinimine?
The molecular weight of 1-Benzoyl-N-cyano-2-pyrrolidinimine is 213.09 g/mol.
Where can I buy 1-Benzoyl-N-cyano-2-pyrrolidinimine?
You can request a quote for 1-Benzoyl-N-cyano-2-pyrrolidinimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-N-cyano-2-pyrrolidinimine?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-N-cyano-2-pyrrolidinimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.