CAS RN: 1249343-86-9
5-(S)-Fluorowillardiine
Product Availability
Choose a grade to view its available package options.
5 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251209 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1249343-86-9
- Purity/Analytical Methods: >99.0%
1249343-86-9 / 2,6-difluoro-N-(1H-pyrazol-5-yl)benzamide
Basic Information
CAS
1249343-86-9
Multi CAS
No
Molecular Formula
C10H7F2N3O
Molecular Weight
223.180000
Exact Mass
223.055718
SMILES
C1=CC(=C(C(=C1)F)C(=O)NC2=CC=NN2)F
InChI
InChI=1S/C10H7F2N3O/c11-6-2-1-3-7(12)9(6)10(16)14-8-4-5-13-15-8/h1-5H,(H2,13,14,15,16)
InChIKey
UMBVHXNGQIFPCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
52.9
TPSA
57.78
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.6
Consensus LogP
1.75
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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