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CAS 1190311-14-8 Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 1190311-14-8

Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxylate

  • Product code: SSC-019324
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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 1190311-14-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1190311-14-8 / methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate

Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxylate | 4-Aza-2-oxindole-5-carboxylic acid methyl ester | MFCD12963011

Standard CAS: 1190311-14-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190311-14-8
Multi CAS
Yes
Molecular Formula
C9H8N2O3
Molecular Weight
192.170000
Exact Mass
192.053492
SMILES
COC(=O)C1=NC2=C(C=C1)NC(=O)C2
InChI
InChI=1S/C9H8N2O3/c1-14-9(13)6-3-2-5-7(10-6)4-8(12)11-5/h2-3H,4H2,1H3,(H,11,12)
InChIKey
QBNGFGHVDXKDNN-UHFFFAOYSA-N
Synonyms
Methyl 2-oxo-2,3-dihydro-1H-pyrrolo[3,2-b]pyridine-5-carboxylate 4-Aza-2-oxindole-5-carboxylic acid methyl ester MFCD12963011 1H-Pyrrolo[3,2-b]pyridine-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester methyl 2-oxo-1,3-dihydropyrrolo[3,2-b]pyridine-5-carboxylate

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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