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CAS 4450-22-0 5-BroMo-2-(dibroMoMethyl)pyriMidine molecular structure lightbox
CAS RN: 4450-22-0

5-BroMo-2-(dibroMoMethyl)pyriMidine

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250729 250mg In stock Inquiry
Batchno.20251115 50mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250301 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4450-22-0
  • Purity/Analytical Methods: >99.0%
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4450-22-0 / 5-bromo-2-(dibromomethyl)pyrimidine

Standard CAS: 4450-22-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4450-22-0
Multi CAS
No
Molecular Formula
C5H3BR3N2
Molecular Weight
330.800000
Exact Mass
329.782590
InChI
InChI=1S/C5H3Br3N2/c6-3-1-9-5(4(7)8)10-2-3/h1-2,4H
InChIKey
LUVQPRWYNSKDFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.33
TPSA
25.78

LogP / Solubility

WLOGP
3.03
MLOGP
2.68
XLogP3
2.4
Consensus LogP
2.7
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.44
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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