methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
TL;DR: methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate (CAS 114464-07-2) is a chemical compound with molecular formula C13H11Cl2N3O4 and molecular weight 343.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate
Also Known As: methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate, 3-ethylsulfanyl-3-methylbutan-1-ol, methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate, 1-(4-Chlorophenyl)-5-methylpyrrolidine-2,4-dione, methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)triazo
| Molecular Formula | C13H11Cl2N3O4 |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 2.0762 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.01266 |
| Heavy Atoms | 22 |
| Complexity | 730.07043 |
Chemical Identifiers
| CAS Number | 114464-07-2 |
|---|---|
| SMILES | COC(=O)CC1=C(N=NN1C2=C(C=C(C=C2)Cl)Cl)C(=O)OC |
Product Overview
methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate (CAS 114464-07-2), with molecular formula C13H11Cl2N3O4 and molecular weight 343.01 g/mol. IUPAC: methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)triazole-4-carboxylate.
Chemical Property Profile of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
Property Insights of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate
The XLogP value of 2.0762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate. Following Lipinski's Rule of Five, methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate 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 methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The CAS number of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is 114464-07-2.
What is the molecular formula of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular formula of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is C13H11Cl2N3O4.
What is the molecular weight of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
The molecular weight of methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate is 343.01 g/mol.
Where can I buy methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
You can request a quote for methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(2,4-dichlorophenyl)-5-(2-methoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.