CAS RN: 1053655-98-3
1-(Isoquinolin-8-yl)ethanone
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.20250607 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-007107
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1053655-98-3 / 1-isoquinolin-8-ylethanone
1-(ISOQUINOLIN-8-YL)ETHANONE | 1-isoquinolin-8-ylethanone | MFCD10699238
Basic Information
CAS
1053655-98-3
Multi CAS
No
Molecular Formula
C11H9NO
Molecular Weight
171.190000
Exact Mass
171.068414
SMILES
CC(=O)C1=CC=CC2=C1C=NC=C2
InChI
InChI=1S/C11H9NO/c1-8(13)10-4-2-3-9-5-6-12-7-11(9)10/h2-7H,1H3
InChIKey
FUYYTGDVYCCNEE-UHFFFAOYSA-N
Synonyms
1-(ISOQUINOLIN-8-YL)ETHANONE
1-isoquinolin-8-ylethanone
MFCD10699238
1-(isoquinolin-8-yl)ethan-1-one
1-(8-Isoquinolinyl)ethanone
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.75
TPSA
29.96
LogP / Solubility
WLOGP
2.44
MLOGP
2.14
XLogP3
1.8
Consensus LogP
2.13
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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