Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate
TL;DR: Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate (CAS 91306-62-6) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)triazole-4-carboxylate
Also Known As: methyl 5-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate, Methyl 5-(2-methoxy-2-oxoethyl)-1-(4-methoxy-phenyl)-1H-1,2,3-triazole-4-carboxylate, 2,3-Pentadienedioic acid,2-propyl-,dimethyl ester, methylmethoxyoxoethylmethoxyphenyltriazolecarboxylate, methyl 5-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)triazole-4-carboxylate
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 0.778 |
| Topological Polar Surface Area | 92.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 678.2868 |
Chemical Identifiers
| CAS Number | 91306-62-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC)CC(=O)OC |
Product Overview
Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate (CAS 91306-62-6), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: methyl 5-(2-methoxy-2-oxoethyl)-1-(4-methoxyphenyl)triazole-4-carboxylate.
Chemical Property Profile of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate
Property Insights of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate
The XLogP value of 0.778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate. The TPSA of 92.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate. Following Lipinski's Rule of Five, Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate 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 Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate?
The CAS number of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate is 91306-62-6.
What is the molecular formula of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate?
The molecular formula of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate is C14H15N3O5.
What is the molecular weight of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate?
The molecular weight of Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate is 305.10 g/mol.
Where can I buy Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate?
You can request a quote for Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(methoxycarbonyl)-1-(4-methoxyphenyl)-1H-1,2,3-triazole-5-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.