2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile
TL;DR: 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile (CAS 370075-27-7) is a chemical compound with molecular formula C18H12ClN3O and molecular weight 321.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1-yl]acetonitrile
Also Known As: 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile, 2-[4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1-yl]acetonitrile
| Molecular Formula | C18H12ClN3O |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 3.75428 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0669 |
| Heavy Atoms | 23 |
| Complexity | 942.47076 |
Chemical Identifiers
| CAS Number | 370075-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=CC(=O)N2CC#N)C3=CC=CC=C3Cl |
Product Overview
2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile (CAS 370075-27-7), with molecular formula C18H12ClN3O and molecular weight 321.07 g/mol. IUPAC: 2-[4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1-yl]acetonitrile.
Chemical Property Profile of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile
Property Insights of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile
The XLogP value of 3.75428 indicates that 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.68 Ų, 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile 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-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile?
The CAS number of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile is 370075-27-7.
What is the molecular formula of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile?
The molecular formula of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile is C18H12ClN3O.
What is the molecular weight of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile?
The molecular weight of 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile is 321.07 g/mol.
Where can I buy 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile?
You can request a quote for 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(2-chlorophenyl)-6-oxo-2-phenylpyrimidin-1(6H)-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.