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CAS 17965-75-2 3,8-dibromo[1,6]naphthyridine molecular structure lightbox
CAS RN: 17965-75-2

3,8-dibromo[1,6]naphthyridine

  • Product code: SSC-080037
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17965-75-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Beijing Inquiry
0.25g ≥97% 5 In Stock Hong Kong Inquiry
1g ≥97% 1 In Stock Beijing Inquiry

17965-75-2 / 3,8-dibromo-1,6-naphthyridine

Standard CAS: 17965-75-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17965-75-2
Multi CAS
No
Molecular Formula
C8H4Br2N2
Molecular Weight
287.940000
Exact Mass
287.872070
SMILES
C1=C2C=NC=C(C2=NC=C1Br)Br
InChI
InChI=1S/C8H4Br2N2/c9-6-1-5-2-11-4-7(10)8(5)12-3-6/h1-4H
InChIKey
XGNQDLUHEFXGPL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
54.94
TPSA
25.78

LogP / Solubility

WLOGP
3.15
MLOGP
2.79
XLogP3
2.5
Consensus LogP
2.81
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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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