CAS RN: 91481-25-3
2-amino-2-(3,4-dichlorophenyl)acetonitrile
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.20260102 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91481-25-3
- Purity/Analytical Methods: >99.0%
91481-25-3 / 2-amino-2-(3,4-dichlorophenyl)acetonitrile
Basic Information
CAS
91481-25-3
Multi CAS
No
Molecular Formula
C8H6CL2N2
Molecular Weight
201.050000
Exact Mass
199.990804
InChI
InChI=1S/C8H6Cl2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2
InChIKey
OIJOTGFCYGNHDS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49
TPSA
49.81
LogP / Solubility
WLOGP
2.52
MLOGP
2.21
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly 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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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- Product Code: starshine_CAS91485-02-8
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