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CAS 67058-76-8 3-BROMO-1H-PYRROLO[2,3-C]PYRIDINE molecular structure lightbox
CAS RN: 67058-76-8

3-BROMO-1H-PYRROLO[2,3-C]PYRIDINE

  • Product code: SSC-176719
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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: 10g
  • 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 67058-76-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

67058-76-8 / 3-bromo-1H-pyrrolo[2,3-c]pyridine

Standard CAS: 67058-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67058-76-8
Multi CAS
Yes
Molecular Formula
BC7H5Rn2
Molecular Weight
197.030000
Exact Mass
195.963610
InChI
InChI=1S/C7H5BrN2/c8-6-3-10-7-4-9-2-1-5(6)7/h1-4,10H
InChIKey
DAGAQTLMZAEUKX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.79
TPSA
28.68

LogP / Solubility

WLOGP
2.33
MLOGP
2.05
XLogP3
1.7
Consensus LogP
2.03
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

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

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