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CAS 887570-91-4 4,6-DIBROMO-2-CHLOROPYRIDIN-3-AMINE molecular structure lightbox
CAS RN: 887570-91-4

4,6-DIBROMO-2-CHLOROPYRIDIN-3-AMINE

  • Product code: SSC-200325
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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: ≥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 887570-91-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

887570-91-4 / 4,6-dibromo-2-chloropyridin-3-amine

Standard CAS: 887570-91-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
887570-91-4
Multi CAS
No
Molecular Formula
C5H3BR2CLN2
Molecular Weight
286.350000
Exact Mass
285.833100
InChI
InChI=1S/C5H3Br2ClN2/c6-2-1-3(7)10-5(8)4(2)9/h1H,9H2
InChIKey
MELFQEILRLHIJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.06
TPSA
38.91

LogP / Solubility

WLOGP
2.84
MLOGP
2.51
XLogP3
2.8
Consensus LogP
2.72
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.88
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.45

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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