CAS RN: 6514-05-2
2-Methyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-1-one
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.20250912 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6514-05-2
- Purity/Analytical Methods: >99.0%
6514-05-2 / 6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-1-one
Basic Information
CAS
6514-05-2
Multi CAS
Yes
Molecular Formula
C12H15NO3
Molecular Weight
221.250000
Exact Mass
221.105193
InChI
InChI=1S/C12H15NO3/c1-13-5-4-8-6-10(15-2)11(16-3)7-9(8)12(13)14/h6-7H,4-5H2,1-3H3
InChIKey
BDIZBBGNYDRCCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
60.21
TPSA
38.77
LogP / Solubility
WLOGP
1.33
MLOGP
1.17
XLogP3
1.4
Consensus LogP
1.3
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-3.12
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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- CAS RN: 6505-99-3
- Product Code: starshine_CAS6505-99-3
- Purity/Analytical method: >99.0%
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