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CAS 1190313-01-9 6-Methyl-5-aza-2-oxindole molecular structure lightbox
CAS RN: 1190313-01-9

6-Methyl-5-aza-2-oxindole

  • Product code: SSC-019337
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1190313-01-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190313-01-9 / 6-methyl-1,3-dihydropyrrolo[3,2-c]pyridin-2-one

6-methyl-1H-pyrrolo[3,2-c]pyridin-2(3H)-one | 6-methyl-1,3-dihydropyrrolo[3,2-c]pyridin-2-one | 6-Methyl-5-azaindole-2(3H)-one

Standard CAS: 1190313-01-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190313-01-9
Multi CAS
No
Molecular Formula
C8H8N2O
Molecular Weight
148.160000
Exact Mass
148.063663
SMILES
CC1=CC2=C(CC(=O)N2)C=N1
InChI
InChI=1S/C8H8N2O/c1-5-2-7-6(4-9-5)3-8(11)10-7/h2,4H,3H2,1H3,(H,10,11)
InChIKey
VPAFZJPLGNWYGP-UHFFFAOYSA-N
Synonyms
6-methyl-1H-pyrrolo[3,2-c]pyridin-2(3H)-one 6-methyl-1,3-dihydropyrrolo[3,2-c]pyridin-2-one 6-Methyl-5-azaindole-2(3H)-one MFCD12963239 2H-Pyrrolo[3,2-c]pyridin-2-one, 1,3-dihydro-6-methyl-

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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