ChemDiv1_025536
TL;DR: ChemDiv1_025536 (CAS 328282-80-0) is a chemical compound with molecular formula C18H19F4N3O3 and molecular weight 401.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-fluorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: ChemDiv1_025536, ethyl 2-(4-fluorophenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-(4-fluorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, ethyl 2-(4-fluorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-(4-fluorophenyl)-6-piperidyl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-ca rboxylate
| Molecular Formula | C18H19F4N3O3 |
|---|---|
| Molecular Weight | 401.14 g/mol |
| LogP | 3.2661 |
| Topological Polar Surface Area | 63.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13626 |
| Heavy Atoms | 28 |
| Complexity | 786.26074 |
Chemical Identifiers
| CAS Number | 328282-80-0 |
|---|---|
| SMILES | CCOC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=CC=C(C=C3)F)C(F)(F)F |
Product Overview
ChemDiv1_025536 (CAS 328282-80-0), with molecular formula C18H19F4N3O3 and molecular weight 401.14 g/mol. IUPAC: ethyl 2-(4-fluorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of ChemDiv1_025536
Property Insights of ChemDiv1_025536
The XLogP value of 3.2661 indicates that ChemDiv1_025536 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025536. Following Lipinski's Rule of Five, ChemDiv1_025536 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 ChemDiv1_025536?
The CAS number of ChemDiv1_025536 is 328282-80-0.
What is the molecular formula of ChemDiv1_025536?
The molecular formula of ChemDiv1_025536 is C18H19F4N3O3.
What is the molecular weight of ChemDiv1_025536?
The molecular weight of ChemDiv1_025536 is 401.14 g/mol.
Where can I buy ChemDiv1_025536?
You can request a quote for ChemDiv1_025536 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025536?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025536 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.