CAS RN: 1260386-69-3
Methyl 5-aza-2-oxindole-6-carboxylate
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.20250804 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1260386-69-3
- Purity/Analytical Methods: >99.0%
1260386-69-3 / methyl 2-oxo-1,3-dihydropyrrolo[3,2-c]pyridine-6-carboxylate
Basic Information
CAS
1260386-69-3
Multi CAS
No
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC(=O)C1=NC=C2CC(=O)NC2=C1
InChI
InChI=1S/C9H8N2O3/c1-14-9(13)7-3-6-5(4-10-7)2-8(12)11-6/h3-4H,2H2,1H3,(H,11,12)
InChIKey
URBPDQPTGVJARZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.91
TPSA
68.29
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
-0.1
Consensus LogP
0.19
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
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)
-3.63
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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