4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
TL;DR: 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 16849-87-9) is a chemical compound with molecular formula C13H15N3 and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carbonitrile
Also Known As: 4-amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile, NCIOpen2_005287, 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carbonitrile, 4-AMINO-1-BENZYL-5,6-DIHYDRO-2H-PYRIDINE-3-CARBONITRILE, 3-Pyridinecarbonitrile,4-amino-1,2,5,6-tetrahydro-1-(phenylmethyl)-
| Molecular Formula | C13H15N3 |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.1266 |
| Heavy Atoms | 16 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 16849-87-9 |
|---|---|
| SMILES | C1CN(CC(=C1N)C#N)CC2=CC=CC=C2 |
| InChIKey | ZSVSBYQAJAESNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile (CAS 16849-87-9), with molecular formula C13H15N3 and molecular weight 213.13 g/mol. IUPAC: 4-amino-1-benzyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
Chemical Property Profile of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
Property Insights of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile. With a topological polar surface area (TPSA) of 53.1 Ų, 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile has 1 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 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The CAS number of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is 16849-87-9.
What is the molecular formula of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular formula of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is C13H15N3.
What is the molecular weight of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
The molecular weight of 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile is 213.13 g/mol.
Where can I buy 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
You can request a quote for 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-1-benzyl-1,2,5,6-tetrahydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.