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CAS 43024-63-1 ethyl 3-broMo-7-hydroxypyrazolo[1,5-a]pyriMidine-6-carboxylate molecular structure lightbox
CAS RN: 43024-63-1

ethyl 3-broMo-7-hydroxypyrazolo[1,5-a]pyriMidine-6-carboxylate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS43024-63-1
  • Purity/Analytical Methods: >99.0%
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43024-63-1 / ethyl 3-bromo-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylate

Standard CAS: 43024-63-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
43024-63-1
Multi CAS
No
Molecular Formula
BC9H8O3Rn3
Molecular Weight
286.080000
Exact Mass
284.974900
InChI
InChI=1S/C9H8BrN3O3/c1-2-16-9(15)5-3-11-7-6(10)4-12-13(7)8(5)14/h3-4,12H,2H2,1H3
InChIKey
LXWMEORHWAYXKN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
59.47
TPSA
76.46

LogP / Solubility

WLOGP
0.96
MLOGP
0.86
XLogP3
1
Consensus LogP
0.94
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
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)
-3.78

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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