CAS RN: 882855-96-1
(4-AMINO-3-BROMO-PHENYL)-ACETONITRILE
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-198846
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
882855-96-1 / 2-(4-amino-3-bromophenyl)acetonitrile
Basic Information
CAS
882855-96-1
Multi CAS
No
Molecular Formula
BC8H7Rn2
Molecular Weight
211.060000
Exact Mass
209.979260
InChI
InChI=1S/C8H7BrN2/c9-7-5-6(3-4-10)1-2-8(7)11/h1-2,5H,3,11H2
InChIKey
JWDNUJFNVCIOTJ-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
Customers Also Viewed
-
![CAS 882856-62-4 3-b]pyrazine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
(E)-ethyl 3-(2,4,5-trifluorophenyl) acrylate
- CAS RN: 882856-63-5
- Product Code: SSC-198848
-
1,4-BIS[3,4-DIHYDRO-2(1H)-QUINOLINON-7-OXY]BUTANE
- CAS RN: 882880-12-8
- Product Code: SSC-198851
-
-
-
Ni-MOF-74
- CAS RN: 882977-00-6
- Product Code: starshine_CAS882977-00-6
- Purity/Analytical method: >99.0%
![CAS 882856-62-4 3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882856-62-4.gif)
![CAS 882880-12-8 1,4-BIS[3,4-DIHYDRO-2(1H)-QUINOLINON-7-OXY]BUTANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882880-12-8.gif)
![CAS 882881-15-4 (1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-METHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882881-15-4.gif)
