CAS RN: 30568-32-2
2-(4-chlorophenyl)-2-methylpropanenitrile
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.20250204 | 250mg / 1g / 5g | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS30568-32-2
- Purity/Analytical Methods: >99.0%
30568-32-2 / 2-(4-chlorophenyl)-2-methylpropanenitrile
Basic Information
CAS
30568-32-2
Multi CAS
No
Molecular Formula
C10H10CLN
Molecular Weight
179.640000
Exact Mass
179.050177
InChI
InChI=1S/C10H10ClN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChIKey
GQOLYABRQATDOI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.09
TPSA
23.79
LogP / Solubility
WLOGP
3.14
MLOGP
2.76
XLogP3
3.1
Consensus LogP
3
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
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)
-1.59
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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