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CAS 7781-26-2 5-BROMO-4,6-DICHLOROPYRIMIDIN-2-AMINE molecular structure lightbox
CAS RN: 7781-26-2

5-BROMO-4,6-DICHLOROPYRIMIDIN-2-AMINE

  • Product code: SSC-187332
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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: ＞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 7781-26-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

7781-26-2 / 5-bromo-4,6-dichloropyrimidin-2-amine

Standard CAS: 7781-26-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7781-26-2
Multi CAS
No
Molecular Formula
C4H2BRCL2N3
Molecular Weight
242.890000
Exact Mass
240.880920
InChI
InChI=1S/C4H2BrCl2N3/c5-1-2(6)9-4(8)10-3(1)7/h(H2,8,9,10)
InChIKey
LAUORAFVFXRKDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
44.16
TPSA
51.8

LogP / Solubility

WLOGP
2.13
MLOGP
1.88
XLogP3
2.5
Consensus LogP
2.17
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.01
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)
-2.69

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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