Isoxadifen-ethyl
TL;DR: Isoxadifen-ethyl (CAS 163520-33-0) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
Also Known As: Isoxadifen-ethyl, isoxadifen ethyl, Isoxadifen etil, Isoxadifen ethyl ester, Isoxadifen-ethyl [ISO:BSI]
| Molecular Formula | C18H17NO3 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 3.2696 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.12085 |
| Heavy Atoms | 22 |
| Complexity | 640.49316 |
Chemical Identifiers
| CAS Number | 163520-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=NOC(C1)(C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
Isoxadifen-ethyl (CAS 163520-33-0), with molecular formula C18H17NO3 and molecular weight 295.12 g/mol. IUPAC: ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate.
Chemical Property Profile of Isoxadifen-ethyl
Property Insights of Isoxadifen-ethyl
The XLogP value of 3.2696 indicates that Isoxadifen-ethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.89 Ų, Isoxadifen-ethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxadifen-ethyl has 0 hydrogen bond donor(s) and 4 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 Isoxadifen-ethyl?
The CAS number of Isoxadifen-ethyl is 163520-33-0.
What is the molecular formula of Isoxadifen-ethyl?
The molecular formula of Isoxadifen-ethyl is C18H17NO3.
What is the molecular weight of Isoxadifen-ethyl?
The molecular weight of Isoxadifen-ethyl is 295.12 g/mol.
Where can I buy Isoxadifen-ethyl?
You can request a quote for Isoxadifen-ethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxadifen-ethyl?
Yes, KEHONG BIO provides custom synthesis services for Isoxadifen-ethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.