(1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate
TL;DR: (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate (CAS 866050-55-7) is a chemical compound with molecular formula C13H9F2N3O2 and molecular weight 277.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate
Also Known As: (1-pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate, N-[(2,6-difluorobenzoyl)oxy]-N-[(Z)-1-(2-pyrazinyl)ethylidene]amine
| Molecular Formula | C13H9F2N3O2 |
|---|---|
| Molecular Weight | 277.07 g/mol |
| LogP | 2.3358 |
| Topological Polar Surface Area | 64.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.06628 |
| Heavy Atoms | 20 |
| Complexity | 639.6708 |
Chemical Identifiers
| CAS Number | 866050-55-7 |
|---|---|
| SMILES | CC(=NOC(=O)C1=C(C=CC=C1F)F)C2=NC=CN=C2 |
Product Overview
(1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate (CAS 866050-55-7), with molecular formula C13H9F2N3O2 and molecular weight 277.07 g/mol. IUPAC: (1-pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate.
Chemical Property Profile of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate
Property Insights of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate
The XLogP value of 2.3358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate. The TPSA of 64.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate. Following Lipinski's Rule of Five, (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate 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 (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate?
The CAS number of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate is 866050-55-7.
What is the molecular formula of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate?
The molecular formula of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate is C13H9F2N3O2.
What is the molecular weight of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate?
The molecular weight of (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate is 277.07 g/mol.
Where can I buy (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate?
You can request a quote for (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1-Pyrazin-2-ylethylideneamino) 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.