CAS RN: 6941-16-8
2-amino-2,3-dihydroinden-1-one
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260521 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6941-16-8
- Purity/Analytical Methods: >99.0%
6941-16-8 / 2-amino-2,3-dihydroinden-1-one
Basic Information
CAS
6941-16-8
Multi CAS
Yes
Molecular Formula
C9H9NO
Molecular Weight
147.170000
Exact Mass
147.068414
InChI
InChI=1S/C9H9NO.ClH/c10-8-5-6-3-1-2-4-7(6)9(8)11;/h1-4,8H,5,10H2;1H
InChIKey
AORFTSYQWUGEFL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.22
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.45
TPSA
43.09
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.9
Consensus LogP
0.77
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
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)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
