dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-52-8) is a chemical compound with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(3,4-dimethoxyphenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(3,4-dimethoxyphenyl)triazole-4,5-dicarboxylate, F1608-0300, 4,5-dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C14H15N3O6 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 0.8577 |
| Topological Polar Surface Area | 101.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.0961 |
| Heavy Atoms | 23 |
| Complexity | 740.109 |
Chemical Identifiers
| CAS Number | 895641-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC)OC |
Product Overview
dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 895641-52-8), with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol. IUPAC: dimethyl 1-(3,4-dimethoxyphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 0.8577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 101.77 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 8 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-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 895641-52-8.
What is the molecular formula of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C14H15N3O6.
What is the molecular weight of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 321.10 g/mol.
Where can I buy dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(3,4-dimethoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.