ChemDiv1_027676
TL;DR: ChemDiv1_027676 (CAS 298685-91-3) is a chemical compound with molecular formula C15H15F4N3O3 and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: ChemDiv1_027676, Ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, 2-Dimethylamino-6-(2-fluoro-phenyl)-4-trifluoromethyl-4H-[1,3,5]oxadiazine-4-carboxylic acid ethyl ester, 4H-1,3,5-Oxadiazine-4-carboxylic acid, 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-, ethyl ester
| Molecular Formula | C15H15F4N3O3 |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.10495 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 298685-91-3 |
|---|---|
| SMILES | CCOC(=O)C1(N=C(OC(=N1)N(C)C)C2=CC=CC=C2F)C(F)(F)F |
| InChIKey | QPGMLESNMYGERB-UHFFFAOYSA-N |
Product Overview
ChemDiv1_027676 (CAS 298685-91-3), with molecular formula C15H15F4N3O3 and molecular weight 361.10 g/mol. IUPAC: ethyl 2-(dimethylamino)-6-(2-fluorophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of ChemDiv1_027676
Property Insights of ChemDiv1_027676
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_027676. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027676. Following Lipinski's Rule of Five, ChemDiv1_027676 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 ChemDiv1_027676?
The CAS number of ChemDiv1_027676 is 298685-91-3.
What is the molecular formula of ChemDiv1_027676?
The molecular formula of ChemDiv1_027676 is C15H15F4N3O3.
What is the molecular weight of ChemDiv1_027676?
The molecular weight of ChemDiv1_027676 is 361.10 g/mol.
Where can I buy ChemDiv1_027676?
You can request a quote for ChemDiv1_027676 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027676?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027676 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.