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CAS 1190322-53-2 4,6-diMethoxy-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 1190322-53-2

4,6-diMethoxy-1H-pyrrolo[2,3-b]pyridine

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Batchno.20250928 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1190322-53-2
  • Purity/Analytical Methods: >99.0%
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1190322-53-2 / 4,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine

4,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine | 1H-Pyrrolo[2,3-b]pyridine, 4,6-dimethoxy- | 4,6-DIMETHOXY-7-AZAINDOLE

Standard CAS: 1190322-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1190322-53-2
Multi CAS
No
Molecular Formula
C9H10N2O2
Molecular Weight
178.190000
Exact Mass
178.074228
SMILES
COC1=CC(=NC2=C1C=CN2)OC
InChI
InChI=1S/C9H10N2O2/c1-12-7-5-8(13-2)11-9-6(7)3-4-10-9/h3-5H,1-2H3,(H,10,11)
InChIKey
OZUAMTNBIWPYTL-UHFFFAOYSA-N
Synonyms
4,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine 1H-Pyrrolo[2,3-b]pyridine, 4,6-dimethoxy- 4,6-DIMETHOXY-7-AZAINDOLE MFCD12962716 SCHEMBL16612853

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
49.2
TPSA
47.14

LogP / Solubility

WLOGP
1.58
MLOGP
1.39
XLogP3
1.6
Consensus LogP
1.52
Log S (ESOL)
-2.32
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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