CAS RN: 1784377-21-4
4-bromo-8-methoxyisoquinoline
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.20250128 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1784377-21-4
- Purity/Analytical Methods: >99.0%
1784377-21-4 / 4-bromo-8-methoxyisoquinoline
Basic Information
CAS
1784377-21-4
Multi CAS
No
Molecular Formula
C10H8BrNO
Molecular Weight
238.080000
Exact Mass
236.978930
SMILES
COC1=CC=CC2=C(C=NC=C21)Br
InChI
InChI=1S/C10H8BrNO/c1-13-10-4-2-3-7-8(10)5-12-6-9(7)11/h2-6H,1H3
InChIKey
DIGRTBWUIZFDSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
56
TPSA
22.12
LogP / Solubility
WLOGP
3.01
MLOGP
2.65
XLogP3
2.8
Consensus LogP
2.82
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1784380-03-5 5-bromo-6-chloro-1H-pyrazolo[3,4-b]pyridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
5-bromo-6-chloro-1H-pyrazolo[3,4-b]pyridine
- CAS RN: 1784380-03-5
- Product Code: SSC-079119
-
1H-Azepine-1-carboxylic acid, 3-cyanohexahydro-, 1,1-dimethylethyl ester
- CAS RN: 1784386-41-9
- Product Code: SSC-079121
-
4-Morpholinecarboxylic acid, 3-(2-hydroxyethyl)-, 1,1-dimethylethyl ester
- CAS RN: 1784401-31-5
- Product Code: SSC-079127
-
3-bromo-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid
- CAS RN: 1784406-87-6
- Product Code: SSC-079131
-
-
7-Bromo-4,4-dimethyl-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 1784426-29-4
- Product Code: SSC-079135
![CAS 1784380-03-5 5-bromo-6-chloro-1H-pyrazolo[3,4-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1784380-03-5.gif)
![CAS 1784406-87-6 3-bromo-1H-pyrazolo[4,3-b]pyridine-5-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1784406-87-6.gif)
![CAS 1784418-25-2 7-Oxaspiro[3.5]nonane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1784418-25-2.gif)
