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CAS 56181-49-8 2-Bromo-4,6-diphenylpyrimidine molecular structure lightbox
CAS RN: 56181-49-8

2-Bromo-4,6-diphenylpyrimidine

  • Product code: SSC-164164
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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: 1g
  • Available purity: ≥97%
  • 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 56181-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

56181-49-8 / 2-bromo-4,6-diphenylpyrimidine

Standard CAS: 56181-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
56181-49-8
Multi CAS
No
Molecular Formula
BC16H11Rn2
Molecular Weight
311.180000
Exact Mass
310.010560
InChI
InChI=1S/C16H11BrN2/c17-16-18-14(12-7-3-1-4-8-12)11-15(19-16)13-9-5-2-6-10-13/h1-11H
InChIKey
GPGIIKKUKINTGW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
80.6
TPSA
25.78

LogP / Solubility

WLOGP
4.57
MLOGP
4.04
XLogP3
4.6
Consensus LogP
4.4
Log S (ESOL)
-5.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.37

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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