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CAS 1260385-03-2 3-Fluoro-7-azaindole molecular structure lightbox
CAS RN: 1260385-03-2

3-Fluoro-7-azaindole

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251112 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1260385-03-2
  • Purity/Analytical Methods: >99.0%
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1260385-03-2 / 3-fluoro-1H-pyrrolo[2,3-b]pyridine

Standard CAS: 1260385-03-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260385-03-2
Multi CAS
No
Molecular Formula
C7H5FN2
Molecular Weight
136.130000
Exact Mass
136.043676
SMILES
C1=CC2=C(NC=C2F)N=C1
InChI
InChI=1S/C7H5FN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
InChIKey
PASBFEOKJALVMO-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
36.05
TPSA
28.68

LogP / Solubility

WLOGP
1.7
MLOGP
1.49
XLogP3
1.4
Consensus LogP
1.53
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-2.34

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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