dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate
TL;DR: dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 23951-57-7) is a chemical compound with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4,6-dimethylpyrimidin-2-yl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate, 4,5-dimethyl 1-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate, dimethyl 1-(4,6-dimethylpyrimidin-2-yl)triazole-4,5-dicarboxylate, 1Y-0824, 4,5-dimethyl1-(4,6-dimethylpyrimidin-2-yl)-1H-1,2,3-triazole-4,5-dicarboxylate
| Molecular Formula | C12H13N5O4 |
|---|---|
| Molecular Weight | 291.10 g/mol |
| LogP | 0.24734 |
| Topological Polar Surface Area | 109.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.09674 |
| Heavy Atoms | 21 |
| Complexity | 689.4185 |
Chemical Identifiers
| CAS Number | 23951-57-7 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=C(N=N2)C(=O)OC)C(=O)OC)C |
Product Overview
dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate (CAS 23951-57-7), with molecular formula C12H13N5O4 and molecular weight 291.10 g/mol. IUPAC: dimethyl 1-(4,6-dimethylpyrimidin-2-yl)triazole-4,5-dicarboxylate.
Chemical Property Profile of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate
Property Insights of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate
The XLogP value of 0.24734 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate. The TPSA of 109.09 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-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-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The CAS number of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 23951-57-7.
What is the molecular formula of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular formula of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate is C12H13N5O4.
What is the molecular weight of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
The molecular weight of dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate is 291.10 g/mol.
Where can I buy dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
You can request a quote for dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-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-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 1-(4,6-dimethyl-2-pyrimidinyl)-1H-1,2,3-triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.