![CAS 1393540-02-7 6-chloro-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1393540-02-7.gif)
CAS RN: 1393540-02-7
6-chloro-1,2-dihydro-3H-pyrrolo[3,4-c]pyridin-3-one
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.20260203 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1393540-02-7
- Purity/Analytical Methods: >99.0%
1393540-02-7 / 6-chloro-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
Basic Information
CAS
1393540-02-7
Multi CAS
No
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
C1C2=CC(=NC=C2C(=O)N1)Cl
InChI
InChI=1S/C7H5ClN2O/c8-6-1-4-2-10-7(11)5(4)3-9-6/h1,3H,2H2,(H,10,11)
InChIKey
NFEZZUBRAOVGOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.42
TPSA
41.99
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.7
Consensus LogP
0.85
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.05
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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