CAS RN: 2082709-87-1
4(1H)-Quinolinone, 2,3-dihydro-2-methyl-, (2S)-
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.20250708 | 25mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2082709-87-1
- Purity/Analytical Methods: >99.0%
2082709-87-1 / (2S)-2-methyl-2,3-dihydro-1H-quinolin-4-one
Basic Information
CAS
2082709-87-1
Multi CAS
No
Molecular Formula
C10H11NO
Molecular Weight
161.200000
Exact Mass
161.084064
SMILES
C[C@H]1CC(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C10H11NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-5,7,11H,6H2,1H3/t7-/m0/s1
InChIKey
KTJXYZFZRRYVJJ-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.47
TPSA
29.1
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
1.8
Consensus LogP
1.9
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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