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CAS 1260385-22-5 4-Fluoro-5-Methoxy-7-azaindole molecular structure lightbox
CAS RN: 1260385-22-5

4-Fluoro-5-Methoxy-7-azaindole

  • Product code: SSC-031582
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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: 0.1g
  • 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 1260385-22-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1260385-22-5 / 4-fluoro-5-methoxy-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 1260385-22-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260385-22-5
Multi CAS
No
Molecular Formula
C8H7FN2O
Molecular Weight
166.150000
Exact Mass
166.054241
SMILES
COC1=CN=C2C(=C1F)C=CN2
InChI
InChI=1S/C8H7FN2O/c1-12-6-4-11-8-5(7(6)9)2-3-10-8/h2-4H,1H3,(H,10,11)
InChIKey
HIODJZBVHNCROX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.6
TPSA
37.91

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.52

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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