dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-60-8) 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-(3-chloro-4-methylphenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(3-chloro-4-methylphenyl)triazole-4,5-dicarboxylate, 4,5-dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, F1608-0303, dimethyl 1-(3-chloro-4-methyl-phenyl)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 | 895641-60-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC)Cl |
Product Overview
dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-60-8), with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol. IUPAC: dimethyl 1-(3-chloro-4-methylphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(3-chloro-4-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 dimethyl 1-(3-chloro-4-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 dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(3-chloro-4-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 dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 895641-60-8.
What is the molecular formula of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C13H12ClN3O4.
What is the molecular weight of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 309.05 g/mol.
Where can I buy dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-(3-chloro-4-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 dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(3-chloro-4-methylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.