CAS RN: 882855-95-0
(2-AMINO-5-BROMO-PHENYL)-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.20250307 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS882855-95-0
- Purity/Analytical Methods: >99.0%
882855-95-0 / 2-(2-amino-5-bromophenyl)acetonitrile
Basic Information
CAS
882855-95-0
Multi CAS
No
Molecular Formula
BC8H7Rn2
Molecular Weight
211.060000
Exact Mass
209.979260
InChI
InChI=1S/C8H7BrN2/c9-7-1-2-8(11)6(5-7)3-4-10/h1-2,5H,3,11H2
InChIKey
AEWZSAGDYVDHRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.87
TPSA
49.81
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
1.6
Consensus LogP
1.85
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.89
Class (SILICOS-IT)
Moderately 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)
-2.52
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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