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CAS 17965-79-6 3,6-Dibromo-1,8-naphthyridine molecular structure lightbox
CAS RN: 17965-79-6

3,6-Dibromo-1,8-naphthyridine

  • Product code: SSC-080040
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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: 0.25g
  • 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 17965-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

17965-79-6 / 3,6-dibromo-1,8-naphthyridine

Standard CAS: 17965-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17965-79-6
Multi CAS
No
Molecular Formula
C8H4Br2N2
Molecular Weight
287.940000
Exact Mass
287.872070
SMILES
C1=C2C=C(C=NC2=NC=C1Br)Br
InChI
InChI=1S/C8H4Br2N2/c9-6-1-5-2-7(10)4-12-8(5)11-3-6/h1-4H
InChIKey
MSXZKKXCUFRJFQ-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
2.8
Consensus LogP
2.91
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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