CAS RN: 24623-39-0
1,3-Dichloro-6-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.20250523 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24623-39-0
- Purity/Analytical Methods: >99.0%
24623-39-0 / 1,3-dichloro-6-methoxyisoquinoline
Basic Information
CAS
24623-39-0
Multi CAS
No
Molecular Formula
C10H7Cl2NO
Molecular Weight
228.070000
Exact Mass
226.990469
SMILES
COC1=CC2=CC(=NC(=C2C=C1)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO/c1-14-7-2-3-8-6(4-7)5-9(11)13-10(8)12/h2-5H,1H3
InChIKey
MDGSCLLECOTDSW-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
58.32
TPSA
22.12
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
4
Consensus LogP
3.56
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.21
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)
-1.59
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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