Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate
TL;DR: Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate (CAS 115914-41-5) is a chemical compound with molecular formula C22H29NO8 and molecular weight 435.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 3-(2,4,6-trimethoxyphenyl)-1,2-oxazole-4,5-dicarboxylate
Also Known As: di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate, AP-006/40679675, ditert-butyl 3-(2,4,6-trimethoxyphenyl)-1,2-oxazole-4,5-dicarboxylate
| Molecular Formula | C22H29NO8 |
|---|---|
| Molecular Weight | 435.19 g/mol |
| LogP | 4.278 |
| Topological Polar Surface Area | 106.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.18933 |
| Heavy Atoms | 31 |
| Complexity | 937.86127 |
Chemical Identifiers
| CAS Number | 115914-41-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C1=C(ON=C1C2=C(C=C(C=C2OC)OC)OC)C(=O)OC(C)(C)C |
Product Overview
Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate (CAS 115914-41-5), with molecular formula C22H29NO8 and molecular weight 435.19 g/mol. IUPAC: ditert-butyl 3-(2,4,6-trimethoxyphenyl)-1,2-oxazole-4,5-dicarboxylate.
Chemical Property Profile of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate
Property Insights of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate
The XLogP value of 4.278 indicates that Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate. Following Lipinski's Rule of Five, Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate?
The CAS number of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate is 115914-41-5.
What is the molecular formula of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate?
The molecular formula of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate is C22H29NO8.
What is the molecular weight of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate?
The molecular weight of Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate is 435.19 g/mol.
Where can I buy Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate?
You can request a quote for Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-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 Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Di(tert-butyl) 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.