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CAS 1190322-28-1 5-Methoxy-7-aza-2-oxindole molecular structure lightbox
CAS RN: 1190322-28-1

5-Methoxy-7-aza-2-oxindole

  • Product code: SSC-019455
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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 1190322-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1190322-28-1 / 5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-Methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one | 5-METHOXY-1H,2H,3H-PYRROLO[2,3-B]PYRIDIN-2-ONE | MFCD12962880

Standard CAS: 1190322-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190322-28-1
Multi CAS
No
Molecular Formula
C8H8N2O2
Molecular Weight
164.160000
Exact Mass
164.058578
SMILES
COC1=CC2=C(NC(=O)C2)N=C1
InChI
InChI=1S/C8H8N2O2/c1-12-6-2-5-3-7(11)10-8(5)9-4-6/h2,4H,3H2,1H3,(H,9,10,11)
InChIKey
XTBGCESLLRZCBB-UHFFFAOYSA-N
Synonyms
5-Methoxy-1H-pyrrolo[2,3-b]pyridin-2(3H)-one 5-METHOXY-1H,2H,3H-PYRROLO[2,3-B]PYRIDIN-2-ONE MFCD12962880 2H-Pyrrolo[2,3-b]pyridin-2-one, 1,3-dihydro-5-methoxy- 5-methoxy-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.12
TPSA
51.22

LogP / Solubility

WLOGP
0.58
MLOGP
0.51
Consensus LogP
0.36
Log S (ESOL)
-1.53
Class (ESOL)
Soluble
Log S (Ali)
-1.33
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)
-3.31

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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