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CAS 868636-46-8 3-Chlorofuro[3,4-b]pyridin-5(7H)-one molecular structure lightbox
CAS RN: 868636-46-8

3-Chlorofuro[3,4-b]pyridin-5(7H)-one

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260611 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS868636-46-8
  • Purity/Analytical Methods: >99.0%
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868636-46-8 / 3-chloro-7H-furo[3,4-b]pyridin-5-one

Standard CAS: 868636-46-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868636-46-8
Multi CAS
No
Molecular Formula
C7H4CLNO2
Molecular Weight
169.560000
Exact Mass
168.993056
InChI
InChI=1S/C7H4ClNO2/c8-4-1-5-6(9-2-4)3-11-7(5)10/h1-2H,3H2
InChIKey
DFHKHXWXXMJOHK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
38.37
TPSA
39.19

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
0.9
Consensus LogP
1.18
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.93
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)
-2.76

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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