CAS RN: 82950-72-9
(S)-1-ACETYL-2,3-DIHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
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.20250601 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS82950-72-9
- Purity/Analytical Methods: >99.0%
82950-72-9 / 1-acetyl-2,3-dihydroindole-2-carboxylic acid
Basic Information
CAS
82950-72-9
Multi CAS
Yes
Molecular Formula
C11H11NO3
Molecular Weight
205.210000
Exact Mass
205.073893
InChI
InChI=1S/C11H11NO3/c1-7(13)12-9-5-3-2-4-8(9)6-10(12)11(14)15/h2-5,10H,6H2,1H3,(H,14,15)/t10-/m0/s1
InChIKey
OGMIMMRKTFZDKW-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
54.73
TPSA
57.61
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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