CAS RN: 1820620-31-2
3-Bromo-6-cyano-2-fluoroaniline
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-082846
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: 5g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1820620-31-2 / 2-amino-4-bromo-3-fluorobenzonitrile
Basic Information
CAS
1820620-31-2
Multi CAS
No
Molecular Formula
C7H4BrFN2
Molecular Weight
215.020000
Exact Mass
213.954190
SMILES
C1=CC(=C(C(=C1C#N)N)F)Br
InChI
InChI=1S/C7H4BrFN2/c8-5-2-1-4(3-10)7(11)6(5)9/h1-2H,11H2
InChIKey
JYLJOBZPUMLBHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.23
TPSA
49.81
LogP / Solubility
WLOGP
2.04
MLOGP
1.8
XLogP3
2.3
Consensus LogP
2.05
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.58
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
-
-
-
-
2-tert-ButoxycarbonylaMino-4,5,6,7-tetrahydro-benzothiazole-6-carboxylic acid ethyl ester
- CAS RN: 1820647-12-8
- Product Code: starshine_CAS1820647-12-8
- Purity/Analytical method: >99.0%
-
1-tert-Butyl 6-ethyl 2,3-dihydro-1H-imidazo[1,2-b]pyrazole-1,6-dicarboxylate
- CAS RN: 1820647-54-8
- Product Code: SSC-082855
-
3-AMino-3-[2,4-bis(benzyloxy)phenyl]propanoic Acid
- CAS RN: 1820648-21-2
- Product Code: SSC-082857
![CAS 1820647-54-8 1-tert-Butyl 6-ethyl 2,3-dihydro-1H-imidazo[1,2-b]pyrazole-1,6-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1820647-54-8.gif)
![CAS 1820648-21-2 3-AMino-3-[2,4-bis(benzyloxy)phenyl]propanoic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB42683542.gif)