4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
TL;DR: 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 19168-84-4) is a chemical compound with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-1,2,4,6-tetramethylpyridine-3,5-dicarbonitrile
Also Known As: 4-(chloromethyl)-1,2,4,6-tetramethylpyridine-3,5-dicarbonitrile, 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile, 4-(chloromethyl)-1,2,4,6-tetramethyl-pyridine-3,5-dicarbonitrile
| Molecular Formula | C12H14ClN3 |
|---|---|
| Molecular Weight | 235.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.08763 |
| Heavy Atoms | 16 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 19168-84-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1C)C)C#N)(C)CCl)C#N |
| InChIKey | PXASKBSFBDOSGR-UHFFFAOYSA-N |
Product Overview
4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile (CAS 19168-84-4), with molecular formula C12H14ClN3 and molecular weight 235.09 g/mol. IUPAC: 4-(chloromethyl)-1,2,4,6-tetramethylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Property Insights of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile. With a topological polar surface area (TPSA) of 50.8 Ų, 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile 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 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The CAS number of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 19168-84-4.
What is the molecular formula of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular formula of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is C12H14ClN3.
What is the molecular weight of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
The molecular weight of 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile is 235.09 g/mol.
Where can I buy 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
You can request a quote for 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-1,2,4,6-tetramethyl-1,4-dihydropyridine-3,5-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.