1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile
TL;DR: 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile (CAS 229322-74-1) is a chemical compound with molecular formula C13H16N2 and molecular weight 200.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-4-methylpyrrolidine-3-carbonitrile
Also Known As: 1-benzyl-4-methyl-pyrrolidine-3-carbonitrile, 1-benzyl-4-methylpyrrolidine-3-carbonitrile, 3-Pyrrolidinecarbonitrile,4-methyl-1-(phenylmethyl)-, (3S,4S)-1-benzyl-4-methylpyrrolidine-3-carbonitrile, 1-Benzyl-4-methyl-3-pyrrolidinecarbonitrile
| Molecular Formula | C13H16N2 |
|---|---|
| Molecular Weight | 200.13 g/mol |
| LogP | 2.27808 |
| Topological Polar Surface Area | 27.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.13135 |
| Heavy Atoms | 15 |
| Complexity | 352.54874 |
Chemical Identifiers
| CAS Number | 229322-74-1 |
|---|---|
| SMILES | CC1CN(CC1C#N)CC2=CC=CC=C2 |
Product Overview
1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile (CAS 229322-74-1), with molecular formula C13H16N2 and molecular weight 200.13 g/mol. IUPAC: 1-benzyl-4-methylpyrrolidine-3-carbonitrile.
Chemical Property Profile of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile
Property Insights of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile
The XLogP value of 2.27808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile. With a topological polar surface area (TPSA) of 27.03 Ų, 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-methyl-pyrrolidine-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-methyl-pyrrolidine-3-carbonitrile?
The CAS number of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile is 229322-74-1.
What is the molecular formula of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile?
The molecular formula of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile is C13H16N2.
What is the molecular weight of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile?
The molecular weight of 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile is 200.13 g/mol.
Where can I buy 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile?
You can request a quote for 1-Benzyl-4-methyl-pyrrolidine-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-methyl-pyrrolidine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-methyl-pyrrolidine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.