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CAS 5657-52-3 FURO[3,4-C]PYRIDIN-3(1H)-ONE molecular structure lightbox
CAS RN: 5657-52-3

FURO[3,4-C]PYRIDIN-3(1H)-ONE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251029 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS5657-52-3
  • Purity/Analytical Methods: >99.0%
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5657-52-3 / 1H-furo[3,4-c]pyridin-3-one

Standard CAS: 5657-52-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5657-52-3
Multi CAS
Yes
Molecular Formula
C7H5NO2
Molecular Weight
135.120000
Exact Mass
135.032028
InChI
InChI=1S/C7H5NO2/c9-7-6-3-8-2-1-5(6)4-10-7/h1-3H,4H2
InChIKey
QAUIZSWZXQFEJL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
33.36
TPSA
39.19

LogP / Solubility

WLOGP
0.75
MLOGP
0.65
XLogP3
0.3
Consensus LogP
0.57
Log S (ESOL)
-1.6
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.16
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)
-3.01

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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