CAS RN: 1190322-98-5
6-Methyl-4-aza-2-oxindole
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260221 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1190322-98-5
- Purity/Analytical Methods: >99.0%
1190322-98-5 / 6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
6-Methyl-1H-pyrrolo[3,2-b]pyridin-2(3H)-one | 6-Methyl-4-aza-2-oxindole | 2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-6-methyl-
Basic Information
CAS
1190322-98-5
Multi CAS
Yes
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CC1=CC2=C(CC(=O)N2)N=C1
InChI
InChI=1S/C8H8N2O/c1-5-2-7-6(9-4-5)3-8(11)10-7/h2,4H,3H2,1H3,(H,10,11)
InChIKey
ZQZHIBLCNOUOEM-UHFFFAOYSA-N
Synonyms
6-Methyl-1H-pyrrolo[3,2-b]pyridin-2(3H)-one
6-Methyl-4-aza-2-oxindole
2H-Pyrrolo[3,2-b]pyridin-2-one, 1,3-dihydro-6-methyl-
MFCD12963073
6-methyl-1,3-dihydropyrrolo[3,2-b]pyridin-2-one
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.31
TPSA
41.99
LogP / Solubility
WLOGP
0.88
MLOGP
0.77
XLogP3
0.1
Consensus LogP
0.58
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.41
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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
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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