![5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine structure](/static/products/4447/444790-57-2.webp)
5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine
TL;DR: 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine (CAS 444790-57-2) is a chemical compound with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidine
Also Known As: 5-(4-chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine, 5-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidine, AI-031/40634256
| Molecular Formula | C11H7ClN4 |
|---|---|
| Molecular Weight | 230.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.03592 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 444790-57-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=NC3=NN=CN23)Cl |
| InChIKey | TVWBGMWIIMWZOG-UHFFFAOYSA-N |
Product Overview
5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine (CAS 444790-57-2), with molecular formula C11H7ClN4 and molecular weight 230.04 g/mol. IUPAC: 5-(4-chlorophenyl)-[1,2,4]triazolo[4,3-a]pyrimidine.
Chemical Property Profile of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine
Property Insights of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine. With a topological polar surface area (TPSA) of 43.1 Ų, 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine 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 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine?
The CAS number of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine is 444790-57-2.
What is the molecular formula of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular formula of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine is C11H7ClN4.
What is the molecular weight of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine?
The molecular weight of 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine is 230.04 g/mol.
Where can I buy 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine?
You can request a quote for 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorophenyl)[1,2,4]triazolo[4,3-a]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.