CAS RN: 924271-35-2
1-Chloro-6-Methoxy-7-broMoisoquinoline
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.20250910 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS924271-35-2
- Purity/Analytical Methods: >99.0%
924271-35-2 / 7-bromo-1-chloro-6-methoxyisoquinoline
Basic Information
CAS
924271-35-2
Multi CAS
No
Molecular Formula
C10H7BRCLNO
Molecular Weight
272.520000
Exact Mass
270.939950
InChI
InChI=1S/C10H7BrClNO/c1-14-9-4-6-2-3-13-10(12)7(6)5-8(9)11/h2-5H,1H3
InChIKey
PPIUOJLFVXPVET-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
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