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CAS 1427367-62-1 1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one hydrochloride molecular structure lightbox
CAS RN: 1427367-62-1

1H,2H,3H-pyrrolo[2,3-b]pyridin-2-one hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260409 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1427367-62-1
  • Purity/Analytical Methods: >99.0%
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1427367-62-1 / 1,3-dihydropyrrolo[2,3-b]pyridin-2-one;hydrochloride

Standard CAS: 1427367-62-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427367-62-1
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
C1C2=C(NC1=O)N=CC=C2.Cl
InChI
InChI=1S/C7H6N2O.ClH/c10-6-4-5-2-1-3-8-7(5)9-6;/h1-3H,4H2,(H,8,9,10);1H
InChIKey
IZHCWVOPQYFEGJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
H-bond donors
1
Molar refractivity
43.82
TPSA
41.99

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
1
Consensus LogP
0.96
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
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)
-3.05

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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