4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile
TL;DR: 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile (CAS 400079-39-2) is a chemical compound with molecular formula C18H11Cl2N3O and molecular weight 355.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile
Also Known As: 2J-052, 4-chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile, 4-chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile
| Molecular Formula | C18H11Cl2N3O |
|---|---|
| Molecular Weight | 355.03 g/mol |
| LogP | 4.99768 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.02792 |
| Heavy Atoms | 24 |
| Complexity | 916.7342 |
Chemical Identifiers
| CAS Number | 400079-39-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC(=N2)C3=CC=C(C=C3)Cl)Cl)C#N |
Product Overview
4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile (CAS 400079-39-2), with molecular formula C18H11Cl2N3O and molecular weight 355.03 g/mol. IUPAC: 4-chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)pyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile
Property Insights of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile
The XLogP value of 4.99768 indicates that 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.8 Ų, 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile 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 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile?
The CAS number of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile is 400079-39-2.
What is the molecular formula of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile?
The molecular formula of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile is C18H11Cl2N3O.
What is the molecular weight of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile?
The molecular weight of 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile is 355.03 g/mol.
Where can I buy 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile?
You can request a quote for 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-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-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(4-chlorophenyl)-6-(4-methoxyphenyl)-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.