CAS RN: 1415633-90-7
2-Bromo-3-amino-6-fluorobenzonitrile
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.20250516 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1415633-90-7
- Purity/Analytical Methods: >99.0%
1415633-90-7 / 3-amino-2-bromo-6-fluorobenzonitrile
Basic Information
CAS
1415633-90-7
Multi CAS
No
Molecular Formula
C7H4BrFN2
Molecular Weight
215.020000
Exact Mass
213.954190
SMILES
C1=CC(=C(C(=C1N)Br)C#N)F
InChI
InChI=1S/C7H4BrFN2/c8-7-4(3-10)5(9)1-2-6(7)11/h1-2H,11H2
InChIKey
BCWCGOHWOQKTDL-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
1.8
Consensus LogP
1.88
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
-
(S)-SpiroPAP
- CAS RN: 1415636-82-6
- Product Code: starshine_CAS1415636-82-6
- Purity/Analytical method: >99.0%
-
-
Hexanoic acid, 4-methyl-5-oxo-, sodium salt (1:1)
- CAS RN: 1415683-79-2
- Product Code: starshine_CAS1415683-79-2
- Purity/Analytical method: >99.0%
-
PtdIns-(3,4,5)-P3-biotinamide (sodium salt)
- CAS RN: 1415684-80-8
- Product Code: starshine_CAS1415684-80-8
- Purity/Analytical method: >99.0%
-
1-Piperidinebutanoic acid, 4-[(4-chlorophenyl)-2-pyridinylMethoxy]- (benzenesulfonate)(1:1)
- CAS RN: 1415692-17-9
- Product Code: starshine_CAS1415692-17-9
- Purity/Analytical method: >99.0%
-
3-Cyclobutyl-1H-indazole
- CAS RN: 1415715-80-8
- Product Code: starshine_CAS1415715-80-8
- Purity/Analytical method: >99.0%
.gif)
.gif)
![CAS 1415692-17-9 1-Piperidinebutanoic acid, 4-[(4-chlorophenyl)-2-pyridinylMethoxy]- (benzenesulfonate)(1:1) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1415692-17-9(2).gif)
