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CAS 893645-73-3 6-(2-FURYL)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 893645-73-3

6-(2-FURYL)-1,3-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250409 1g In stock Inquiry
Batchno.20260228 250mg In stock Inquiry
Batchno.20250216 5g In stock Inquiry
  • Product code: starshine_CAS893645-73-3
  • Purity/Analytical Methods: >99.0%
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893645-73-3 / 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid

Standard CAS: 893645-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
893645-73-3
Multi CAS
No
Molecular Formula
C13H11N3O3
Molecular Weight
257.240000
Exact Mass
257.080041
InChI
InChI=1S/C13H11N3O3/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18)
InChIKey
SPJRYTCPPQOHCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
14
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
67.91
TPSA
81.15

LogP / Solubility

WLOGP
2.23
MLOGP
1.97
XLogP3
1.5
Consensus LogP
1.9
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7

Drug-likeness / Medicinal Chemistry

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

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