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CAS 1384213-52-8 4-Pyridinamine, 2,6-dibromo-3-chloro- molecular structure lightbox
CAS RN: 1384213-52-8

4-Pyridinamine, 2,6-dibromo-3-chloro-

  • Product code: SSC-048387
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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 1384213-52-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1384213-52-8 / 2,6-dibromo-3-chloropyridin-4-amine

Standard CAS: 1384213-52-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1384213-52-8
Multi CAS
No
Molecular Formula
C5H3Br2ClN2
Molecular Weight
286.350000
Exact Mass
285.833100
SMILES
C1=C(C(=C(N=C1Br)Br)Cl)N
InChI
InChI=1S/C5H3Br2ClN2/c6-3-1-2(9)4(8)5(7)10-3/h1H,(H2,9,10)
InChIKey
CFVYEDHWOBABMA-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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