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Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
369363-56-4 / 4-(2-fluorophenyl)-2H-triazole
Basic Information
CAS
369363-56-4
Multi CAS
No
Molecular Formula
C8FH6N3
Molecular Weight
163.150000
Exact Mass
163.054575
InChI
InChI=1S/C8H6FN3/c9-7-4-2-1-3-6(7)8-5-10-12-11-8/h1-5H,(H,10,11,12)
InChIKey
XQNLLPNGLMIYRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.78
TPSA
41.57
LogP / Solubility
WLOGP
1.61
MLOGP
1.41
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
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)
-2.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 369378-17-6 “R,R-N,N’-bis[[2-(diphenylphosphino)phenyl]Methyl]-1,2-diphenyl-1,2-EthanediaMine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/369378-17-6(2).gif)
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