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CAS 2386629-55-4 Pyrazolo[1,5-a]pyrimidin-7(1H)-one, 2-bromo- molecular structure lightbox
CAS RN: 2386629-55-4

Pyrazolo[1,5-a]pyrimidin-7(1H)-one, 2-bromo-

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250220 100mg In stock Shanghai Inquiry
Batchno.20250327 10g Out of stock Inquiry
Batchno.20250116 1g In stock Shanghai Inquiry
Batchno.20250406 250mg In stock Shanghai Inquiry
Batchno.20250822 5g In stock Shanghai Inquiry
Batchno.20260330 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS2386629-55-4
  • Purity/Analytical Methods: >99.0%
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2386629-55-4 / 2-bromo-1H-pyrazolo[1,5-a]pyrimidin-7-one

Standard CAS: 2386629-55-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2386629-55-4
Multi CAS
No
Molecular Formula
C6H4BrN3O
Molecular Weight
214.020000
Exact Mass
212.953770
SMILES
C1=CN=C2C=C(NN2C1=O)Br
InChI
InChI=1S/C6H4BrN3O/c7-4-3-5-8-2-1-6(11)10(5)9-4/h1-3,9H
InChIKey
OFDSFRLXEQUJGL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.51
TPSA
50.16

LogP / Solubility

WLOGP
0.79
MLOGP
0.69
XLogP3
0.6
Consensus LogP
0.69
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-3.47

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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