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CAS 676247-93-1 7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE) molecular structure lightbox
CAS RN: 676247-93-1

7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250110 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS676247-93-1
  • Purity/Analytical Methods: >99.0%
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676247-93-1 / 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Standard CAS: 676247-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
676247-93-1
Multi CAS
No
Molecular Formula
C11H7N3O2S
Molecular Weight
245.260000
Exact Mass
245.025898
InChI
InChI=1S/C11H7N3O2S/c15-11(16)7-6-13-14-8(3-4-12-10(7)14)9-2-1-5-17-9/h1-6H,(H,15,16)
InChIKey
OURWKHLDAVYMGO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
14
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
63.26
TPSA
67.49

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

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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