1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile
TL;DR: 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile (CAS 15093-31-9) is a chemical compound with molecular formula C13H10Cl2N2 and molecular weight 264.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile
Also Known As: KST-1B0598, 1-(2,6-dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile, 1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile, 1-[(2,6-Dichlorophenyl)methyl]-1,6-dihydropyridine-3-carbonitrile, 3-Pyridinecarbonitrile,1-[(2,6-dichlorophenyl)methyl]-1,6-dihydro-
| Molecular Formula | C13H10Cl2N2 |
|---|---|
| Molecular Weight | 264.02 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.0221 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 15093-31-9 |
|---|---|
| SMILES | C1C=CC(=CN1CC2=C(C=CC=C2Cl)Cl)C#N |
| InChIKey | XSPLGARAZZDZIS-UHFFFAOYSA-N |
Product Overview
1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile (CAS 15093-31-9), with molecular formula C13H10Cl2N2 and molecular weight 264.02 g/mol. IUPAC: 1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile.
Chemical Property Profile of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile
Property Insights of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile
The XLogP value of 3.5 indicates that 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-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-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile?
The CAS number of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile is 15093-31-9.
What is the molecular formula of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile?
The molecular formula of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile is C13H10Cl2N2.
What is the molecular weight of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile?
The molecular weight of 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile is 264.02 g/mol.
Where can I buy 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile?
You can request a quote for 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-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-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Dichlorobenzyl)-1,6-dihydropyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.