1-Benzyl-4-phenylpyrrolidine-3-carbonitrile
TL;DR: 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile (CAS 80896-45-3) is a chemical compound with molecular formula C18H18N2 and molecular weight 262.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-phenylpyrrolidine-3-carbonitrile
Also Known As: 1-benzyl-4-phenylpyrrolidine-3-carbonitrile, 1-benzyl-4-phenyl-pyrrolidine-3-carbonitrile, 3-Pyrrolidinecarbonitrile,4-phenyl-1-(phenylmethyl)-, 3-Pyrrolidinecarbonitrile, 4-phenyl-1-(phenylmethyl)-, Cis-1-benzyl-4-phenylpyrrolidine-3-carbonitrile
| Molecular Formula | C18H18N2 |
|---|---|
| Molecular Weight | 262.15 g/mol |
| LogP | 3.42578 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.147 |
| Heavy Atoms | 20 |
| Complexity | 585.8202 |
Chemical Identifiers
| CAS Number | 80896-45-3 |
|---|---|
| SMILES | C1C(C(CN1CC2=CC=CC=C2)C3=CC=CC=C3)C#N |
Product Overview
1-Benzyl-4-phenylpyrrolidine-3-carbonitrile (CAS 80896-45-3), with molecular formula C18H18N2 and molecular weight 262.15 g/mol. IUPAC: 1-benzyl-4-phenylpyrrolidine-3-carbonitrile.
Chemical Property Profile of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile
Property Insights of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile
The XLogP value of 3.42578 indicates that 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.03 Ų, 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile has 0 hydrogen bond donor(s) and 2 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-Benzyl-4-phenylpyrrolidine-3-carbonitrile?
The CAS number of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile is 80896-45-3.
What is the molecular formula of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile?
The molecular formula of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile is C18H18N2.
What is the molecular weight of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile?
The molecular weight of 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile is 262.15 g/mol.
Where can I buy 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile?
You can request a quote for 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-phenylpyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.