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CAS 1360552-57-3 5-BROMO-4-FLUOROPYRIMIDIN-2-AMINE molecular structure lightbox
CAS RN: 1360552-57-3

5-BROMO-4-FLUOROPYRIMIDIN-2-AMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260429 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1360552-57-3
  • Purity/Analytical Methods: >99.0%
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1360552-57-3 / 5-bromo-4-fluoropyrimidin-2-amine

Standard CAS: 1360552-57-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1360552-57-3
Multi CAS
No
Molecular Formula
C4H3BrFN3
Molecular Weight
191.990000
Exact Mass
190.949440
SMILES
C1=C(C(=NC(=N1)N)F)Br
InChI
InChI=1S/C4H3BrFN3/c5-2-1-8-4(7)9-3(2)6/h1H,(H2,7,8,9)
InChIKey
MKCTYOVICGMHBJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.1
TPSA
51.8

LogP / Solubility

WLOGP
0.96
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.71
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)
-3.21

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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