4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
TL;DR: 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile (CAS 338982-09-5) 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.
4-chloro-6-(3-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile
Also Known As: 4-chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile, 4-chloro-6-(3-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile, chloromethoxyphenylphenylpyrimidinecarbonitrile, 11H-030, 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5- pyrimidinecarbonitrile
| Molecular Formula | C18H12ClN3O |
|---|---|
| Molecular Weight | 321.07 g/mol |
| LogP | 4.34428 |
| Topological Polar Surface Area | 58.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.0669 |
| Heavy Atoms | 23 |
| Complexity | 888.5137 |
Chemical Identifiers
| CAS Number | 338982-09-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=C(C(=NC(=N2)C3=CC=CC=C3)Cl)C#N |
Product Overview
4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile (CAS 338982-09-5), with molecular formula C18H12ClN3O and molecular weight 321.07 g/mol. IUPAC: 4-chloro-6-(3-methoxyphenyl)-2-phenylpyrimidine-5-carbonitrile.
Chemical Property Profile of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
Property Insights of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
The XLogP value of 4.34428 indicates that 4-Chloro-6-(3-methoxyphenyl)-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 58.8 Ų, 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-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-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The CAS number of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is 338982-09-5.
What is the molecular formula of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular formula of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is C18H12ClN3O.
What is the molecular weight of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
The molecular weight of 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile is 321.07 g/mol.
Where can I buy 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
You can request a quote for 4-Chloro-6-(3-methoxyphenyl)-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-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-6-(3-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.