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CAS 600727-96-6 2,6-bis(1H-pyrazol-1-yl)isonicotinic acid molecular structure lightbox
CAS RN: 600727-96-6

2,6-bis(1H-pyrazol-1-yl)isonicotinic acid

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250617 100mg Out of stock Inquiry
Batchno.20251129 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
Batchno.20251213 1g Out of stock Inquiry
Batchno.20251121 250mg Out of stock Inquiry
  • Product code: LINH887437
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600727-96-6 / 2,6-di(pyrazol-1-yl)pyridine-4-carboxylic acid

Standard CAS: 600727-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
600727-96-6
Multi CAS
No
Molecular Formula
C12H9N5O2
Molecular Weight
255.230000
Exact Mass
255.075625
InChI
InChI=1S/C12H9N5O2/c18-12(19)9-7-10(16-5-1-3-13-16)15-11(8-9)17-6-2-4-14-17/h1-8H,(H,18,19)
InChIKey
AABBIGVHMABWQY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
1
Molar refractivity
65.44
TPSA
85.83

LogP / Solubility

WLOGP
1.15
MLOGP
1.02
XLogP3
1
Consensus LogP
1.06
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

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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