CAS RN: 1780542-36-0
6-fluoroisoquinolin-4-amine
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.20260503 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1780542-36-0
- Purity/Analytical Methods: >99.0%
1780542-36-0 / 6-fluoroisoquinolin-4-amine
Basic Information
CAS
1780542-36-0
Multi CAS
No
Molecular Formula
C9H7FN2
Molecular Weight
162.160000
Exact Mass
162.059326
SMILES
C1=CC2=CN=CC(=C2C=C1F)N
InChI
InChI=1S/C9H7FN2/c10-7-2-1-6-4-12-5-9(11)8(6)3-7/h1-5H,11H2
InChIKey
PHCWENXIJQYDOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.11
TPSA
38.91
LogP / Solubility
WLOGP
1.96
MLOGP
1.72
XLogP3
1.5
Consensus LogP
1.73
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1780552-69-3 tert-butyl N-{octahydrocyclopenta[c]pyrrol-5-yl}carbamate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
tert-butyl N-{octahydrocyclopenta[c]pyrrol-5-yl}carbamate
- CAS RN: 1780552-69-3
- Product Code: SSC-078106
-
-
Thiazolo[4,5-b]pyridine, 6-chloro-
- CAS RN: 1780572-16-8
- Product Code: starshine_CAS1780572-16-8
- Purity/Analytical method: >99.0%
-
4-bromo-8-(trifluoromethyl)isoquinoline
- CAS RN: 1780593-58-9
- Product Code: starshine_CAS1780593-58-9
- Purity/Analytical method: >99.0%
-
6-(Trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxylic acid
- CAS RN: 1780609-26-8
- Product Code: SSC-078120
-
![CAS 1780552-69-3 tert-butyl N-{octahydrocyclopenta[c]pyrrol-5-yl}carbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780552-69-3.gif)
![CAS 1780572-16-8 Thiazolo[4,5-b]pyridine, 6-chloro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780572-16-8.gif)
![CAS 1780609-26-8 6-(Trifluoromethyl)imidazo[1,5-a]pyridine-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1780609-26-8.gif)
