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CAS 1261802-66-7 1H-Pyrrolo[2,3-b]pyridin-2-ol molecular structure lightbox
CAS RN: 1261802-66-7

1H-Pyrrolo[2,3-b]pyridin-2-ol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1261802-66-7
  • Purity/Analytical Methods: >99.0%
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1261802-66-7 / 1H-pyrrolo[2,3-b]pyridin-2-ol

Standard CAS: 1261802-66-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261802-66-7
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1=CC2=C(NC(=C2)O)N=C1
InChI
InChI=1S/C7H6N2O/c10-6-4-5-2-1-3-8-7(5)9-6/h1-4,10H,(H,8,9)
InChIKey
PUYPZQKEBDHBLM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.76
TPSA
48.91

LogP / Solubility

WLOGP
1.27
MLOGP
1.11
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-2.64

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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