CAS RN: 758710-74-6
6-bromo-1-chloro-7-methoxyIsoquinoline
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260206 | 100mg / 250mg / 500mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS758710-74-6
- Purity/Analytical Methods: >99.0%
758710-74-6 / 6-bromo-1-chloro-7-methoxyisoquinoline
Basic Information
CAS
758710-74-6
Multi CAS
No
Molecular Formula
C10H7BRCLNO
Molecular Weight
272.520000
Exact Mass
270.939950
InChI
InChI=1S/C10H7BrClNO/c1-14-9-5-7-6(4-8(9)11)2-3-13-10(7)12/h2-5H,1H3
InChIKey
SCLBMRCNAVREGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
61.01
TPSA
22.12
LogP / Solubility
WLOGP
3.66
MLOGP
3.23
XLogP3
3.7
Consensus LogP
3.53
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly 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)
-1.78
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
-
-
3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-carboxylic acid, 98+% C11H13N3O4, MW: 251.24
- CAS RN: 758720-54-6
- Product Code: SSC-185312
-
-
Ethanone, 2-bromo-1-(4-methyl-2-pyridinyl)- (9CI)
- CAS RN: 759442-78-9
- Product Code: SSC-185382
-
1-(2,4,6-trifluorophenyl)piperazine
- CAS RN: 759443-28-2
- Product Code: starshine_CAS759443-28-2
- Purity/Analytical method: >99.0%
-
IMidazo[1,2-a]pyridine-8-carboxylic acid, 6-chloro-, Methyl ester
- CAS RN: 760144-55-6
- Product Code: starshine_CAS760144-55-6
- Purity/Analytical method: >99.0%
![CAS 758720-54-6 3′-Nitro-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-carboxylic acid, 98+% C11H13N3O4, MW: 251.24 molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/758720-54-6.gif)
![CAS 760144-55-6 IMidazo[1,2-a]pyridine-8-carboxylic acid, 6-chloro-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/760144-55-6.gif)