![2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile structure](/static/products/2164/2164-77-4.webp)
2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
TL;DR: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile (CAS 2164-77-4) is a chemical compound with molecular formula C28H28N4O2 and molecular weight 452.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
Also Known As: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile, 2,2'-(2-Phenyl-1,3-diazinane-1,3-diyl)bis[(4-methoxyphenyl)acetonitrile]
| Molecular Formula | C28H28N4O2 |
|---|---|
| Molecular Weight | 452.22 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.22122 |
| Heavy Atoms | 34 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 2164-77-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)N2CCCN(C2C3=CC=CC=C3)C(C#N)C4=CC=C(C=C4)OC |
| InChIKey | LLHIUPLUMASRLW-UHFFFAOYSA-N |
Product Overview
2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile (CAS 2164-77-4), with molecular formula C28H28N4O2 and molecular weight 452.22 g/mol. IUPAC: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
Property Insights of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
The XLogP value of 5.0 indicates that 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile. Following Lipinski's Rule of Five, 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile has 0 hydrogen bond donor(s) and 6 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-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The CAS number of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is 2164-77-4.
What is the molecular formula of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The molecular formula of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is C28H28N4O2.
What is the molecular weight of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The molecular weight of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is 452.22 g/mol.
Where can I buy 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
You can request a quote for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile 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-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-phenyl-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.