4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile
TL;DR: 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile (CAS 338976-31-1) is a chemical compound with molecular formula C17H9Cl2N3 and molecular weight 325.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile, 4-chloro-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile, 4-chloro-6-(4-chlorophenyl)-2-phenyl-pyrimidine-5-carbonitrile, C17H9Cl2N3
| Molecular Formula | C17H9Cl2N3 |
|---|---|
| Molecular Weight | 325.02 g/mol |
| LogP | 4.98908 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.01736 |
| Heavy Atoms | 22 |
| Complexity | 853.5677 |
Chemical Identifiers
| CAS Number | 338976-31-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)C#N)C3=CC=C(C=C3)Cl |
Product Overview
4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile (CAS 338976-31-1), with molecular formula C17H9Cl2N3 and molecular weight 325.02 g/mol. IUPAC: 4-chloro-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile
Property Insights of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 4.98908 indicates that 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.57 Ų, 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile 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 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile is 338976-31-1.
What is the molecular formula of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile is C17H9Cl2N3.
What is the molecular weight of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile is 325.02 g/mol.
Where can I buy 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(4-chlorophenyl)-2-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.