CAS RN: 1150618-27-1
1-oxo-1,2-dihydroisoquinoline-7-carbaldehyde
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.20250119 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1150618-27-1
- Purity/Analytical Methods: >99.0%
1150618-27-1 / 1-oxo-2H-isoquinoline-7-carbaldehyde
1-oxo-1,2-dihydroisoquinoline-7-carbaldehyde | 1-Hydroxyisoquinoline-7-carbaldehyde | 1-OXO-2H-ISOQUINOLINE-7-CARBALDEHYDE
Basic Information
CAS
1150618-27-1
Multi CAS
Yes
Molecular Formula
C10H7NO2
Molecular Weight
173.170000
Exact Mass
173.047678
SMILES
C1=CC(=CC2=C1C=CNC2=O)C=O
InChI
InChI=1S/C10H7NO2/c12-6-7-1-2-8-3-4-11-10(13)9(8)5-7/h1-6H,(H,11,13)
InChIKey
DWTNXNVQRBJTNI-UHFFFAOYSA-N
Synonyms
1-oxo-1,2-dihydroisoquinoline-7-carbaldehyde
1-Hydroxyisoquinoline-7-carbaldehyde
1-OXO-2H-ISOQUINOLINE-7-CARBALDEHYDE
1,2-dihydro-1-oxoisoquinoline-7-carbaldehyde
SCHEMBL29955132
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.96
TPSA
49.93
LogP / Solubility
WLOGP
1.34
MLOGP
1.18
XLogP3
0.8
Consensus LogP
1.11
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.95
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
Class (SILICOS-IT)
Moderately 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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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