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CAS 1367948-79-5 6-Fluorobenzofuran-2-carbaldehyde molecular structure lightbox
CAS RN: 1367948-79-5

6-Fluorobenzofuran-2-carbaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251011 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1367948-79-5
  • Purity/Analytical Methods: >99.0%
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1367948-79-5 / 6-fluoro-1-benzofuran-2-carbaldehyde

Standard CAS: 1367948-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1367948-79-5
Multi CAS
No
Molecular Formula
C9H5FO2
Molecular Weight
164.130000
Exact Mass
164.027358
SMILES
C1=CC2=C(C=C1F)OC(=C2)C=O
InChI
InChI=1S/C9H5FO2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-5H
InChIKey
NFBQLKXQOGZXBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
41.56
TPSA
30.21

LogP / Solubility

WLOGP
2.38
MLOGP
2.09
XLogP3
2.2
Consensus LogP
2.22
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.03

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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