2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile
TL;DR: 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile (CAS 403830-91-1) is a chemical compound with molecular formula C18H17N3 and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dimethyl-1-(2-phenylethyl)-4-pyridinylidene]propanedinitrile
Also Known As: F1013-0024, 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile, 2-(2,6-dimethyl-1-phenethylpyridin-4-ylidene)propanedinitrile, 2-[2,6-dimethyl-1-(2-phenylethyl)-1,4-dihydropyridin-4-ylidene]propanedinitrile, (2,6-dimethyl-1-phenethyl-1,4-dihydro-4-pyridylidene)propanedinitrile
| Molecular Formula | C18H17N3 |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 3.69606 |
| Topological Polar Surface Area | 50.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.14224 |
| Heavy Atoms | 21 |
| Complexity | 656.21924 |
Chemical Identifiers
| CAS Number | 403830-91-1 |
|---|---|
| SMILES | CC1=CC(=C(C#N)C#N)C=C(N1CCC2=CC=CC=C2)C |
Product Overview
2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile (CAS 403830-91-1), with molecular formula C18H17N3 and molecular weight 275.14 g/mol. IUPAC: 2-[2,6-dimethyl-1-(2-phenylethyl)-4-pyridinylidene]propanedinitrile.
Chemical Property Profile of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile
Property Insights of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile
The XLogP value of 3.69606 indicates that 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.82 Ų, 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile 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 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile?
The CAS number of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile is 403830-91-1.
What is the molecular formula of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile?
The molecular formula of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile is C18H17N3.
What is the molecular weight of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile?
The molecular weight of 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile is 275.14 g/mol.
Where can I buy 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile?
You can request a quote for 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-dimethyl-1-phenethylpyridin-4(1H)-ylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.