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CAS 885267-38-9 5-Bromo-4-methoxy-2-(1-piperazinyl)pyrimidine molecular structure lightbox
CAS RN: 885267-38-9

5-Bromo-4-methoxy-2-(1-piperazinyl)pyrimidine

  • Product code: SSC-199279
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 885267-38-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

885267-38-9 / 5-bromo-4-methoxy-2-piperazin-1-ylpyrimidine

Standard CAS: 885267-38-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885267-38-9
Multi CAS
No
Molecular Formula
BC9H13ORn4
Molecular Weight
273.130000
Exact Mass
272.027270
InChI
InChI=1S/C9H13BrN4O/c1-15-8-7(10)6-12-9(13-8)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3
InChIKey
IWAONNULVXFHMA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
61.37
TPSA
50.28

LogP / Solubility

WLOGP
0.66
MLOGP
0.59
XLogP3
1
Consensus LogP
0.75
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.92

Drug-likeness / Medicinal Chemistry

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

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