ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
TL;DR: ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CAS 327100-55-0) is a chemical compound with molecular formula C15H12F12N4O4 and molecular weight 540.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-[2-[cyano-[6-ethoxy-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
Also Known As: ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate, ethyl N-[2-[cyano-[6-ethoxy-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
| Molecular Formula | C15H12F12N4O4 |
|---|---|
| Molecular Weight | 540.07 g/mol |
| LogP | 4.37778 |
| Topological Polar Surface Area | 105.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.0667 |
| Heavy Atoms | 35 |
| Complexity | 870.0675 |
Chemical Identifiers
| CAS Number | 327100-55-0 |
|---|---|
| SMILES | CCOC1=NC(N=C(O1)C(C#N)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)(C(F)(F)F)C(F)(F)F |
Product Overview
ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate (CAS 327100-55-0), with molecular formula C15H12F12N4O4 and molecular weight 540.07 g/mol. IUPAC: ethyl N-[2-[cyano-[6-ethoxy-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
Chemical Property Profile of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
Property Insights of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
The XLogP value of 4.37778 indicates that ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate. Following Lipinski's Rule of Five, ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The CAS number of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is 327100-55-0.
What is the molecular formula of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The molecular formula of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is C15H12F12N4O4.
What is the molecular weight of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
The molecular weight of ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate is 540.07 g/mol.
Where can I buy ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
You can request a quote for ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2-(cyano(6-ethoxy-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazin-2-yl)methyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.