CAS RN: 4993-96-8
1-ACETYL-5-AMINO-2,3-DIHYDRO-(1H)-INDOLE
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.20250531 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4993-96-8
- Purity/Analytical Methods: >99.0%
4993-96-8 / 1-(5-amino-2,3-dihydroindol-1-yl)ethanone
Basic Information
CAS
4993-96-8
Multi CAS
Yes
Molecular Formula
C10H12N2O
Molecular Weight
176.210000
Exact Mass
176.094963
InChI
InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3
InChIKey
WSDUFDGEYKOQRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.59
TPSA
46.33
LogP / Solubility
WLOGP
1.18
MLOGP
1.03
XLogP3
0.6
Consensus LogP
0.94
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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