dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895650-47-2) is a chemical compound with molecular formula C13H12ClN3O5 and molecular weight 325.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(5-chloro-2-methoxyphenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(5-chloro-2-methoxyphenyl)triazole-4,5-dicarboxylate, 4,5-dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(5-chloro-2-methoxy-phenyl)triazole-4,5-dicarboxylate, C13H12ClN3O5
| Molecular Formula | C13H12ClN3O5 |
|---|---|
| Molecular Weight | 325.05 g/mol |
| LogP | 1.5025 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.04654 |
| Heavy Atoms | 22 |
| Complexity | 728.4608 |
Chemical Identifiers
| CAS Number | 895650-47-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Cl)N2C(=C(N=N2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895650-47-2), with molecular formula C13H12ClN3O5 and molecular weight 325.05 g/mol. IUPAC: dimethyl 1-(5-chloro-2-methoxyphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 1.5025 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 7 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 dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 895650-47-2.
What is the molecular formula of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C13H12ClN3O5.
What is the molecular weight of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 325.05 g/mol.
Where can I buy dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.