NCI60_025596
TL;DR: NCI60_025596 (CAS 339352-17-9) is a chemical compound with molecular formula C12H9F12N3O2 and molecular weight 455.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
Also Known As: NCI60_025596, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(morpholin-4-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-morpholino-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine, 2-(4-Morpholinyl)-4,4-bis(trifluoromethyl)-6-(2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4H-1,3,5-oxadiazine
| Molecular Formula | C12H9F12N3O2 |
|---|---|
| Molecular Weight | 455.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.05032 |
| Heavy Atoms | 29 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 339352-17-9 |
|---|---|
| SMILES | C1COCCN1C2=NC(N=C(O2)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
| InChIKey | BSPNIFNLIXMQIQ-UHFFFAOYSA-N |
Product Overview
NCI60_025596 (CAS 339352-17-9), with molecular formula C12H9F12N3O2 and molecular weight 455.05 g/mol. IUPAC: 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
Chemical Property Profile of NCI60_025596
Property Insights of NCI60_025596
The XLogP value of 3.7 indicates that NCI60_025596 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.4 Ų, NCI60_025596 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_025596 has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_025596?
The CAS number of NCI60_025596 is 339352-17-9.
What is the molecular formula of NCI60_025596?
The molecular formula of NCI60_025596 is C12H9F12N3O2.
What is the molecular weight of NCI60_025596?
The molecular weight of NCI60_025596 is 455.05 g/mol.
Where can I buy NCI60_025596?
You can request a quote for NCI60_025596 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_025596?
Yes, KEHONG BIO provides custom synthesis services for NCI60_025596 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.