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CAS 86518-17-4 4,5-Dihydro-4-oxo-furo[3,2-c]pyridine-2-carboxaldehyde molecular structure lightbox
CAS RN: 86518-17-4

4,5-Dihydro-4-oxo-furo[3,2-c]pyridine-2-carboxaldehyde

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250803 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS86518-17-4
  • Purity/Analytical Methods: >99.0%
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86518-17-4 / 4-oxo-5H-furo[3,2-c]pyridine-2-carbaldehyde

Standard CAS: 86518-17-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
86518-17-4
Multi CAS
Yes
Molecular Formula
C8H5NO3
Molecular Weight
163.130000
Exact Mass
163.026943
InChI
InChI=1S/C8H5NO3/c10-4-5-3-6-7(12-5)1-2-9-8(6)11/h1-4H,(H,9,11)
InChIKey
KJGUFTKAHLKJTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.22
TPSA
63.07

LogP / Solubility

WLOGP
0.93
MLOGP
0.82
XLogP3
0.2
Consensus LogP
0.65
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.05

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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