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CAS 4595-64-6 5-Bromo-4-butylpyrimidine molecular structure lightbox
CAS RN: 4595-64-6

5-Bromo-4-butylpyrimidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260608 25g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4595-64-6
  • Purity/Analytical Methods: >99.0%
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4595-64-6 / 5-bromo-4-butylpyrimidine

Standard CAS: 4595-64-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4595-64-6
Multi CAS
No
Molecular Formula
BC8H11Rn2
Molecular Weight
215.090000
Exact Mass
214.010560
InChI
InChI=1S/C8H11BrN2/c1-2-3-4-8-7(9)5-10-6-11-8/h5-6H,2-4H2,1H3
InChIKey
LLPITUMEHNOXPJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
48.34
TPSA
25.78

LogP / Solubility

WLOGP
2.58
MLOGP
2.27
XLogP3
2.6
Consensus LogP
2.48
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.2

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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