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CAS 90001-34-6 4-Bromo-1,5-naphthyridine molecular structure lightbox
CAS RN: 90001-34-6

4-Bromo-1,5-naphthyridine

  • Product code: SSC-202318
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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 90001-34-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

90001-34-6 / 4-bromo-1,5-naphthyridine

Standard CAS: 90001-34-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90001-34-6
Multi CAS
No
Molecular Formula
BC8H5Rn2
Molecular Weight
209.040000
Exact Mass
207.963610
InChI
InChI=1S/C8H5BrN2/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H
InChIKey
RUZMWDKSPLIZSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
47.24
TPSA
25.78

LogP / Solubility

WLOGP
2.39
MLOGP
2.11
XLogP3
1.9
Consensus LogP
2.13
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly 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)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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