CAS RN: 170108-12-0
(E)-N-(2,3-difluorophenyl)-2-(hydroxyimino)acetamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250304 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS170108-12-0
- Purity/Analytical Methods: >99.0%
170108-12-0 / (2E)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
Basic Information
CAS
170108-12-0
Multi CAS
No
Molecular Formula
C8H6F2N2O2
Molecular Weight
200.140000
Exact Mass
200.039734
SMILES
C1=CC(=C(C(=C1)F)F)NC(=O)/C=N/O
InChI
InChI=1S/C8H6F2N2O2/c9-5-2-1-3-6(8(5)10)12-7(13)4-11-14/h1-4,14H,(H,12,13)/b11-4+
InChIKey
YMBBUGISGQLGIK-NYYWCZLTSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
45.27
TPSA
61.69
LogP / Solubility
WLOGP
1.36
MLOGP
1.2
XLogP3
2
Consensus LogP
1.52
Log S (ESOL)
-2.12
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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