![5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/5003/500338-80-7.webp)
5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 500338-80-7) is a chemical compound with molecular formula C4HCl2N5 and molecular weight 188.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,7-dichloro-2H-triazolo[4,5-d]pyrimidine
Also Known As: C4HCl2N5, 2,6-Dichloro-8-azapurine, 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine, 5,7-Dichloro-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 5,7-dichloro-2H-triazolo[4,5-d]pyrimidine
| Molecular Formula | C4HCl2N5 |
|---|---|
| Molecular Weight | 188.96 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.9609 |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 500338-80-7 |
|---|---|
| SMILES | C12=NNN=C1N=C(N=C2Cl)Cl |
| InChIKey | ZHCMLGWKJKQHTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 500338-80-7), with molecular formula C4HCl2N5 and molecular weight 188.96 g/mol. IUPAC: 5,7-dichloro-2H-triazolo[4,5-d]pyrimidine.
Chemical Property Profile of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine. Following Lipinski's Rule of Five, 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine has 1 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 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine is 500338-80-7.
What is the molecular formula of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine is C4HCl2N5.
What is the molecular weight of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine is 188.96 g/mol.
Where can I buy 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 5,7-dichloro-1H-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.