CAS RN: 93748-09-5
2-(4-fluorophenyl)-2-methylpropanenitrile
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.20250919 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS93748-09-5
- Purity/Analytical Methods: >99.0%
93748-09-5 / 2-(4-fluorophenyl)-2-methylpropanenitrile
Basic Information
CAS
93748-09-5
Multi CAS
No
Molecular Formula
C10FH10N
Molecular Weight
163.190000
Exact Mass
163.079727
InChI
InChI=1S/C10H10FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3
InChIKey
UOEIWAZNZTXYSC-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
45.04
TPSA
23.79
LogP / Solubility
WLOGP
2.63
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
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)
-1.85
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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