4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate
TL;DR: 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate (CAS 432-66-6) is a chemical compound with molecular formula C9H11F2NO3 and molecular weight 219.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobuten-1-olate
Also Known As: 4,4-difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate, 4,4-difluoro-3-hydroxy-2-(4-methylmorpholin-4-ium-4-yl)cyclobut-2-en-1-one, 4,4-difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobuten-1-olate, 4,4-Difluoro-3-hydroxy-2-(4-methyl-1,4.lambda.~5~-oxazinan-4-yl)-2-cyclobuten-1-one, Morpholinium, 4-(3,3-difluoro-2-hydroxy-4-oxo-1-cyclobuten-1-yl)-4-methyl-, inner salt
| Molecular Formula | C9H11F2NO3 |
|---|---|
| Molecular Weight | 219.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.0707 |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 432-66-6 |
|---|---|
| SMILES | C[N+]1(CCOCC1)C2=C(C(C2=O)(F)F)[O-] |
| InChIKey | YYTREAWUHSHLOC-UHFFFAOYSA-N |
Product Overview
4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate (CAS 432-66-6), with molecular formula C9H11F2NO3 and molecular weight 219.07 g/mol. IUPAC: 4,4-difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobuten-1-olate.
Chemical Property Profile of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate
Property Insights of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate. With a topological polar surface area (TPSA) of 49.4 Ų, 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate has 0 hydrogen bond donor(s) and 5 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 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate?
The CAS number of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate is 432-66-6.
What is the molecular formula of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate?
The molecular formula of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate is C9H11F2NO3.
What is the molecular weight of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate?
The molecular weight of 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate is 219.07 g/mol.
Where can I buy 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate?
You can request a quote for 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Difluoro-2-(4-methylmorpholin-4-ium-4-yl)-3-oxocyclobut-1-en-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.