CAS RN: 1082041-79-9
8-Methyl-3,4-dihydroisoquinolin-1(2H)-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.20250323 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-009452
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 | Shanghai | Inquiry |
1082041-79-9 / 8-methyl-3,4-dihydro-2H-isoquinolin-1-one
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one | 8-Methyl-3,4-dihydro-2H-isoquinolin-1-one | MFCD11007915
Basic Information
CAS
1082041-79-9
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
CC1=C2C(=CC=C1)CCNC2=O
InChI
InChI=1S/C10H11NO/c1-7-3-2-4-8-5-6-11-10(12)9(7)8/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey
YTAVXUVDTBJJMT-UHFFFAOYSA-N
Synonyms
8-Methyl-3,4-dihydroisoquinolin-1(2H)-one
8-Methyl-3,4-dihydro-2H-isoquinolin-1-one
MFCD11007915
SCHEMBL12714991
DTXSID10694611
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.22
TPSA
29.1
LogP / Solubility
WLOGP
1.28
MLOGP
1.12
XLogP3
1.6
Consensus LogP
1.33
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
