![2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile structure](/static/products/2766/2766-63-4.webp)
2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
TL;DR: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile (CAS 2766-63-4) is a chemical compound with molecular formula C29H30N4O4 and molecular weight 498.23 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-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
Also Known As: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile, 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyp, 2,2'-[2-(2-Hydroxy-3-methoxyphenyl)-1,3-diazinane-1,3-diyl]bis[(4-methoxyphenyl)acetonitrile]
| Molecular Formula | C29H30N4O4 |
|---|---|
| Molecular Weight | 498.23 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.2267 |
| Heavy Atoms | 37 |
| Complexity | 755.0 |
Chemical Identifiers
| CAS Number | 2766-63-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C#N)N2CCCN(C2C3=C(C(=CC=C3)OC)O)C(C#N)C4=CC=C(C=C4)OC |
| InChIKey | OPXMLBWZQJRDSB-UHFFFAOYSA-N |
Product Overview
2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile (CAS 2766-63-4), with molecular formula C29H30N4O4 and molecular weight 498.23 g/mol. IUPAC: 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile.
Chemical Property Profile of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
Property Insights of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile
The XLogP value of 4.6 indicates that 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-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 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile. Following Lipinski's Rule of Five, 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile has 1 hydrogen bond donor(s) and 8 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-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The CAS number of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is 2766-63-4.
What is the molecular formula of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The molecular formula of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is C29H30N4O4.
What is the molecular weight of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
The molecular weight of 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile is 498.23 g/mol.
Where can I buy 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
You can request a quote for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-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-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-[cyano-(4-methoxyphenyl)methyl]-2-(2-hydroxy-3-methoxyphenyl)-1,3-diazinan-1-yl]-2-(4-methoxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.