4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
TL;DR: 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CAS 338405-48-4) is a chemical compound with molecular formula C13H10ClN5 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
Also Known As: 4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine, 3F-076, 4-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)pyrimidine, 4-(4-chlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]pyrimidine
| Molecular Formula | C13H10ClN5 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.4368 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.06247 |
| Heavy Atoms | 19 |
| Complexity | 663.76526 |
Chemical Identifiers
| CAS Number | 338405-48-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC(=NC=C2)CN3C=NC=N3)Cl |
Product Overview
4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine (CAS 338405-48-4), with molecular formula C13H10ClN5 and molecular weight 271.06 g/mol. IUPAC: 4-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine.
Chemical Property Profile of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
Property Insights of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine
The XLogP value of 2.4368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine. With a topological polar surface area (TPSA) of 56.49 Ų, 4-(4-Chlorophenyl)-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-(4-Chlorophenyl)-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-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The CAS number of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is 338405-48-4.
What is the molecular formula of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular formula of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is C13H10ClN5.
What is the molecular weight of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
The molecular weight of 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine is 271.06 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
You can request a quote for 4-(4-Chlorophenyl)-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-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.