4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-48-2) is a chemical compound with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(5-chloro-2-methylphenyl)triazole-4,5-dicarboxylate
Also Known As: 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(5-chloro-2-methylphenyl)triazole-4,5-dicarboxylate, F1608-0298, dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C13H12ClN3O4 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 1.80232 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.05164 |
| Heavy Atoms | 21 |
| Complexity | 711.4371 |
Chemical Identifiers
| CAS Number | 895641-48-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2C(=C(N=N2)C(=O)OC)C(=O)OC |
Product Overview
4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-48-2), with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol. IUPAC: dimethyl 1-(5-chloro-2-methylphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 1.80232 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 6 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 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 895641-48-2.
What is the molecular formula of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C13H12ClN3O4.
What is the molecular weight of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 309.05 g/mol.
Where can I buy 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-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 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4,5-dimethyl 1-(5-chloro-2-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.