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CAS 96319-38-9 2-METHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 96319-38-9

2-METHYL-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXYLIC ACID

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250609 1g Out of stock 5-7 business days Inquiry
Batchno.20260518 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS96319-38-9
  • Purity/Analytical Methods: >99.0%
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96319-38-9 / 2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

Standard CAS: 96319-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
96319-38-9
Multi CAS
No
Molecular Formula
C8H7N3O2
Molecular Weight
177.160000
Exact Mass
177.053826
InChI
InChI=1S/C8H7N3O2/c1-5-6(8(12)13)7-9-3-2-4-11(7)10-5/h2-4H,1H3,(H,12,13)
InChIKey
IRJAFYDJCLVTRN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
44.68
TPSA
67.49

LogP / Solubility

WLOGP
0.74
MLOGP
0.64
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.54
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
Class (SILICOS-IT)
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)
-3.28

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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