CAS RN: 55234-56-5
4-(4-METHOXYPHENYL)-4-OXOBUTANENITRILE
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.20250324 | 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55234-56-5
- Purity/Analytical Methods: >99.0%
55234-56-5 / 4-(4-methoxyphenyl)-4-oxobutanenitrile
Basic Information
CAS
55234-56-5
Multi CAS
No
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
InChI
InChI=1S/C11H11NO2/c1-14-10-6-4-9(5-7-10)11(13)3-2-8-12/h4-7H,2-3H2,1H3
InChIKey
UTVSIESNEORCDC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
52.17
TPSA
50.09
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
1.6
Consensus LogP
1.9
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-2.33
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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