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CAS 675111-88-3 4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid molecular structure lightbox
CAS RN: 675111-88-3

4-Chloro-1-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250126 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS675111-88-3
  • Purity/Analytical Methods: >99.0%
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675111-88-3 / 4-chloro-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid

Standard CAS: 675111-88-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
675111-88-3
Multi CAS
Yes
Molecular Formula
C8H6CLN3O2
Molecular Weight
211.600000
Exact Mass
211.014854
InChI
InChI=1S/C8H6ClN3O2/c1-12-7-4(3-11-12)6(9)5(2-10-7)8(13)14/h2-3H,1H3,(H,13,14)
InChIKey
ORQOQCPMNZFHHO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.48
TPSA
68.01

LogP / Solubility

WLOGP
1.32
MLOGP
1.16
XLogP3
1
Consensus LogP
1.16
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
Class (SILICOS-IT)
Moderately 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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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