![2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile structure](/static/products/3136/31368-49-7.webp)
2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
TL;DR: 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile (CAS 31368-49-7) is a chemical compound with molecular formula C20H20N4 and molecular weight 316.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
Also Known As: NCIOpen2_009026, 2,2'-(1,3-Diazinane-1,3-diyl)bis(phenylacetonitrile), 2,2'-dihydropyrimidine-1,3(2h,4h)-diylbis(phenylacetonitrile), 2-[3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile, 1,3(2H,6H)-Pyrimidinediacetonitrile, dihydro-a1,a3-diphenyl-
| Molecular Formula | C20H20N4 |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.1688 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 31368-49-7 |
|---|---|
| SMILES | C1CN(CN(C1)C(C#N)C2=CC=CC=C2)C(C#N)C3=CC=CC=C3 |
| InChIKey | NFUHFXXKABJBBQ-UHFFFAOYSA-N |
Product Overview
2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile (CAS 31368-49-7), with molecular formula C20H20N4 and molecular weight 316.17 g/mol. IUPAC: 2-[3-[cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile.
Chemical Property Profile of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
Property Insights of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile
The XLogP value of 3.5 indicates that 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.1 Ų, 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile has 0 hydrogen bond donor(s) and 4 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-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile?
The CAS number of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile is 31368-49-7.
What is the molecular formula of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile?
The molecular formula of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile is C20H20N4.
What is the molecular weight of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile?
The molecular weight of 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile is 316.17 g/mol.
Where can I buy 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile?
You can request a quote for 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[Cyano(phenyl)methyl]-1,3-diazinan-1-yl]-2-phenylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.