Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate
TL;DR: Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate (CAS 338956-98-2) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-phenyl-5-propan-2-yloxy-1,2,4-triazine-6-carboxylate
Also Known As: isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate, propan-2-yl 3-phenyl-5-(propan-2-yloxy)-1,2,4-triazine-6-carboxylate, propan-2-yl 3-phenyl-5-propan-2-yloxy-1,2,4-triazine-6-carboxylate, propan-2-yl3-phenyl-5-(propan-2-yloxy)-1,2,4-triazine-6-carboxylate
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 2.891 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 642.33923 |
Chemical Identifiers
| CAS Number | 338956-98-2 |
|---|---|
| SMILES | CC(C)OC1=C(N=NC(=N1)C2=CC=CC=C2)C(=O)OC(C)C |
Product Overview
Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate (CAS 338956-98-2), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: propan-2-yl 3-phenyl-5-propan-2-yloxy-1,2,4-triazine-6-carboxylate.
Chemical Property Profile of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate
Property Insights of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate
The XLogP value of 2.891 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate. Following Lipinski's Rule of Five, Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-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 Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate?
The CAS number of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate is 338956-98-2.
What is the molecular formula of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate?
The molecular formula of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate is C16H19N3O3.
What is the molecular weight of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate?
The molecular weight of Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate is 301.14 g/mol.
Where can I buy Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate?
You can request a quote for Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 5-isopropoxy-3-phenyl-1,2,4-triazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.