CAS RN: 622-32-2
SYN-BENZALDEHYDE OXIME
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 100mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS622-32-2
- Purity/Analytical Methods: >99.0%
622-32-2 / N-benzylidenehydroxylamine
Basic Information
CAS
622-32-2
Multi CAS
Yes
Molecular Formula
C7H7NO
Molecular Weight
121.140000
Exact Mass
121.052764
InChI
InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H
InChIKey
VTWKXBJHBHYJBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.82
TPSA
32.59
LogP / Solubility
WLOGP
1.49
MLOGP
1.31
XLogP3
1.9
Consensus LogP
1.57
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 622-63-9
- Product Code: starshine_CAS622-63-9
- Purity/Analytical method: >99.0%
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