CAS RN: 55224-94-7
4-(4-Chlorophenyl)-3-methylbut-3-en-2-oxime
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.20250405 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55224-94-7
- Purity/Analytical Methods: >99.0%
55224-94-7 / N-[4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
Basic Information
CAS
55224-94-7
Multi CAS
Yes
Molecular Formula
C11H12CLNO
Molecular Weight
209.670000
Exact Mass
209.060742
InChI
InChI=1S/C11H12ClNO/c1-8(9(2)13-14)7-10-3-5-11(12)6-4-10/h3-7,14H,1-2H3/b8-7+,13-9+
InChIKey
MHTJEUOFLVQMCL-NJHPPEEMSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60
TPSA
32.59
LogP / Solubility
WLOGP
3.59
MLOGP
3.16
XLogP3
3.3
Consensus LogP
3.35
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly 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)
-1.45
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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