Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate
TL;DR: Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate (CAS 895645-40-6) is a chemical compound with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate
Also Known As: dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate, dimethyl 1-(4-isopropylphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate, 4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate, F1608-0487
| Molecular Formula | C15H17N3O4 |
|---|---|
| Molecular Weight | 303.12 g/mol |
| LogP | 1.9639 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.12192 |
| Heavy Atoms | 22 |
| Complexity | 689.3132 |
Chemical Identifiers
| CAS Number | 895645-40-6 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C(=C(N=N2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate (CAS 895645-40-6), with molecular formula C15H17N3O4 and molecular weight 303.12 g/mol. IUPAC: dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate
Property Insights of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate
The XLogP value of 1.9639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1-(4-propan-2-ylphenyl)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-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate?
The CAS number of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate is 895645-40-6.
What is the molecular formula of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate?
The molecular formula of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate is C15H17N3O4.
What is the molecular weight of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate?
The molecular weight of Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate is 303.12 g/mol.
Where can I buy Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate?
You can request a quote for Dimethyl 1-(4-propan-2-ylphenyl)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-propan-2-ylphenyl)triazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1-(4-propan-2-ylphenyl)triazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.