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CAS 52833-43-9 6-bromo-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one molecular structure lightbox
CAS RN: 52833-43-9

6-bromo-2-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4(3H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52833-43-9
  • Purity/Analytical Methods: >99.0%
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52833-43-9 / 6-bromo-2-(trifluoromethyl)-4aH-pyrido[2,3-d]pyrimidin-4-one

Standard CAS: 52833-43-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
52833-43-9
Multi CAS
Yes
Molecular Formula
BC8H3N3ORf3
Molecular Weight
294.030000
Exact Mass
292.941160
InChI
InChI=1S/C8H3BrF3N3O/c9-3-1-4-5(13-2-3)14-7(8(10,11)12)15-6(4)16/h1-2H,(H,13,14,15,16)
InChIKey
LEMQPFCUXJPYLE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
54.92
TPSA
54.15

LogP / Solubility

WLOGP
1.87
MLOGP
1.65
XLogP3
1.5
Consensus LogP
1.67
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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