![4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine structure](/static/products/4000/400083-23-0.webp)
4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
TL;DR: 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CAS 400083-23-0) is a chemical compound with molecular formula C15H12ClN5 and molecular weight 297.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
Also Known As: 4-[2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine, 4-(4-chlorostyryl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine
| Molecular Formula | C15H12ClN5 |
|---|---|
| Molecular Weight | 297.08 g/mol |
| LogP | 2.9402 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.07812 |
| Heavy Atoms | 21 |
| Complexity | 735.02026 |
Chemical Identifiers
| CAS Number | 400083-23-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC2=NC(=NC=C2)CN3C=NC=N3)Cl |
Product Overview
4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CAS 400083-23-0), with molecular formula C15H12ClN5 and molecular weight 297.08 g/mol. IUPAC: 4-[2-(4-chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.
Chemical Property Profile of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
Property Insights of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
The XLogP value of 2.9402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine. With a topological polar surface area (TPSA) of 56.49 Ų, 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine 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-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The CAS number of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is 400083-23-0.
What is the molecular formula of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular formula of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is C15H12ClN5.
What is the molecular weight of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular weight of 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is 297.08 g/mol.
Where can I buy 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
You can request a quote for 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Chlorophenyl)ethenyl]-2-(1,2,4-triazol-1-ylmethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.