CAS RN: 22246-04-4
7-METHOXY-3,4-DIHYDRO-2H-ISOQUINOLIN-1-ONE
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.20250917 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-107099
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
22246-04-4 / 7-methoxy-3,4-dihydro-2H-isoquinolin-1-one
Basic Information
CAS
22246-04-4
Multi CAS
No
Molecular Formula
C10H11NO2
Molecular Weight
177.200000
Exact Mass
177.078979
SMILES
COC1=CC2=C(CCNC2=O)C=C1
InChI
InChI=1S/C10H11NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKey
QBEYUVIGABSXEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.03
TPSA
38.33
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
1.2
Consensus LogP
1.01
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
