7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
TL;DR: 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine (CAS 21323-71-7) is a chemical compound with molecular formula C5H4ClN5 and molecular weight 169.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyltriazolo[4,5-d]pyrimidine
Also Known As: 7-Chloro-3-methyl-3H-1,2,3-triazolo[4,5-d]pyrimidine, 7-Chloro-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 7-chloro-3-methyltriazolo[4,5-d]pyrimidine, 7-CM-1,2,3-TP, SDCCGMLS-0065637.P001
| Molecular Formula | C5H4ClN5 |
|---|---|
| Molecular Weight | 169.02 g/mol |
| LogP | 0.4117 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.01552 |
| Heavy Atoms | 11 |
| Complexity | 394.67215 |
Chemical Identifiers
| CAS Number | 21323-71-7 |
|---|---|
| SMILES | CN1C2=C(C(=NC=N2)Cl)N=N1 |
Product Overview
7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine (CAS 21323-71-7), with molecular formula C5H4ClN5 and molecular weight 169.02 g/mol. IUPAC: 7-chloro-3-methyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
Property Insights of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine
The XLogP value of 0.4117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine. With a topological polar surface area (TPSA) of 56.49 Ų, 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)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 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine?
The CAS number of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine is 21323-71-7.
What is the molecular formula of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine?
The molecular formula of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine is C5H4ClN5.
What is the molecular weight of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine?
The molecular weight of 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine is 169.02 g/mol.
Where can I buy 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine?
You can request a quote for 7-Chloro-3-methyl-3H-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 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-methyl-3H-1,2,3-triazolo(4,5-d)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.