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CAS 67058-71-3 Ethanone, 1-(1H-pyrrolo[2,3-c]pyridin-3-yl)- (9CI) molecular structure lightbox
CAS RN: 67058-71-3

Ethanone, 1-(1H-pyrrolo[2,3-c]pyridin-3-yl)- (9CI)

  • Product code: SSC-176717
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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 67058-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

67058-71-3 / 1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanone

Standard CAS: 67058-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
67058-71-3
Multi CAS
No
Molecular Formula
C9H8N2O
Molecular Weight
160.170000
Exact Mass
160.063663
InChI
InChI=1S/C9H8N2O/c1-6(12)8-4-11-9-5-10-3-2-7(8)9/h2-5,11H,1H3
InChIKey
VVNOWWBAXYETQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.1
TPSA
45.75

LogP / Solubility

WLOGP
1.77
MLOGP
1.55
XLogP3
0.7
Consensus LogP
1.34
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
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)
-2.44

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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