![CAS 131849-07-5 Pyrido[1,2-a]indol-9(6H)-one, 7,8-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/131849-07-5.gif)
CAS RN: 131849-07-5
Pyrido[1,2-a]indol-9(6H)-one, 7,8-dihydro-
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.20250911 | 10mg / 50mg / 250mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS131849-07-5
- Purity/Analytical Methods: >99.0%
131849-07-5 / 7,8-dihydro-6H-pyrido[1,2-a]indol-9-one
Basic Information
CAS
131849-07-5
Multi CAS
No
Molecular Formula
C12H11NO
Molecular Weight
185.220000
Exact Mass
185.084064
SMILES
C1CC(=O)C2=CC3=CC=CC=C3N2C1
InChI
InChI=1S/C12H11NO/c14-12-6-3-7-13-10-5-2-1-4-9(10)8-11(12)13/h1-2,4-5,8H,3,6-7H2
InChIKey
FWPNDEPXGQHQOS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
2
Molar refractivity
55.5
TPSA
22
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.1
Consensus LogP
2.34
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.04
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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