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CAS 1835734-64-9 8-bromo-[1]benzofuro[2,3-b]pyridine molecular structure lightbox
CAS RN: 1835734-64-9

8-bromo-[1]benzofuro[2,3-b]pyridine

  • Product code: SSC-084911
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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 1835734-64-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1835734-64-9 / 8-bromo-[1]benzofuro[2,3-b]pyridine

Standard CAS: 1835734-64-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1835734-64-9
Multi CAS
No
Molecular Formula
C11H6BrNO
Molecular Weight
248.070000
Exact Mass
246.963280
SMILES
C1=CC2=C(C(=C1)Br)OC3=C2C=CC=N3
InChI
InChI=1S/C11H6BrNO/c12-9-5-1-3-7-8-4-2-6-13-11(8)14-10(7)9/h1-6H
InChIKey
LFFUIQFHAXHRTD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
13
H-bond acceptors
2
Molar refractivity
59.22
TPSA
26.03

LogP / Solubility

WLOGP
3.74
MLOGP
3.3
XLogP3
3.6
Consensus LogP
3.55
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58

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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