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CAS 1190321-61-9 4-Chloro-6-hydroxy-7-azaindole molecular structure lightbox
CAS RN: 1190321-61-9

4-Chloro-6-hydroxy-7-azaindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250401 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1190321-61-9
  • Purity/Analytical Methods: >99.0%
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1190321-61-9 / 4-chloro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one

4-chloro-1H-pyrrolo[2,3-b]pyridin-6-ol | 6H-Pyrrolo[2,3-b]pyridin-6-one, 4-chloro-1,7-dihydro- | MFCD12962659

Standard CAS: 1190321-61-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1190321-61-9
Multi CAS
Yes
Molecular Formula
C7H5ClN2O
Molecular Weight
168.580000
Exact Mass
168.009041
SMILES
C1=CNC2=C1C(=CC(=O)N2)Cl
InChI
InChI=1S/C7H5ClN2O/c8-5-3-6(11)10-7-4(5)1-2-9-7/h1-3H,(H2,9,10,11)
InChIKey
QQEDZZBQLURVDU-UHFFFAOYSA-N
Synonyms
4-chloro-1H-pyrrolo[2,3-b]pyridin-6-ol 6H-Pyrrolo[2,3-b]pyridin-6-one, 4-chloro-1,7-dihydro- MFCD12962659 4-chloro-1,7-dihydropyrrolo[2,3-b]pyridin-6-one AKOS040767068

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
2
Molar refractivity
43.93
TPSA
48.65

LogP / Solubility

WLOGP
1.51
MLOGP
1.32
XLogP3
0.8
Consensus LogP
1.21
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-2.68

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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