CAS RN: 552846-23-8
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone
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.20250114 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINH900818
552846-23-8 / 1-[4-(5H-tetrazol-5-yl)phenyl]ethanone
Basic Information
CAS
552846-23-8
Multi CAS
Yes
Molecular Formula
C9H8N4O
Molecular Weight
188.190000
Exact Mass
188.069811
InChI
InChI=1S/C9H8N4O/c1-6(14)7-2-4-8(5-3-7)9-10-12-13-11-9/h2-5,9H,1H3
InChIKey
ACFUNIVIZORNDJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
48.9
TPSA
66.51
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly 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)
-1.94
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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