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CAS 1383735-65-6 Ethanone, 1-(6-broMo-1H-pyrazolo[4,3-b]pyridin-1-yl)- molecular structure lightbox
CAS RN: 1383735-65-6

Ethanone, 1-(6-broMo-1H-pyrazolo[4,3-b]pyridin-1-yl)-

  • Product code: SSC-048286
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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: ＞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 1383735-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1383735-65-6 / 1-(6-bromopyrazolo[4,5-b]pyridin-1-yl)ethanone

Standard CAS: 1383735-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1383735-65-6
Multi CAS
No
Molecular Formula
C8H6BrN3O
Molecular Weight
240.060000
Exact Mass
238.969420
SMILES
CC(=O)N1C2=C(C=N1)N=CC(=C2)Br
InChI
InChI=1S/C8H6BrN3O/c1-5(13)12-8-2-6(9)3-10-7(8)4-11-12/h2-4H,1H3
InChIKey
DXLKIGFFFNFTHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
4
Molar refractivity
51.53
TPSA
47.78

LogP / Solubility

WLOGP
1.85
MLOGP
1.64
XLogP3
1.2
Consensus LogP
1.56
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.87

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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