CAS RN: 1823924-37-3
methyl 3-oxo-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260630 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250204 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250319 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250528 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20251016 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1823924-37-3
- Purity/Analytical Methods: >99.0%
1823924-37-3 / methyl 3-oxo-2,4-dihydro-1H-isoquinoline-7-carboxylate
Basic Information
CAS
1823924-37-3
Multi CAS
No
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
SMILES
COC(=O)C1=CC2=C(CC(=O)NC2)C=C1
InChI
InChI=1S/C11H11NO3/c1-15-11(14)8-3-2-7-5-10(13)12-6-9(7)4-8/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
BWBDAAUODRYDDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.33
TPSA
55.4
LogP / Solubility
WLOGP
0.65
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
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)
-3.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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