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CAS 86386-65-4 1-(4-Fluorobenzyl)-2,5-pyrrolidinedione molecular structure lightbox
CAS RN: 86386-65-4

1-(4-Fluorobenzyl)-2,5-pyrrolidinedione

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251105 1g Out of stock 15 business days Inquiry
  • Product code: LINF929993
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86386-65-4 / 1-[(4-fluorophenyl)methyl]pyrrolidine-2,5-dione

Standard CAS: 86386-65-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
86386-65-4
Multi CAS
No
Molecular Formula
C11FH10NO2
Molecular Weight
207.200000
Exact Mass
207.069557
InChI
InChI=1S/C11H10FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4H,5-7H2
InChIKey
UWLXBKCBVKMPAD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
51.19
TPSA
37.38

LogP / Solubility

WLOGP
1.47
MLOGP
1.3
XLogP3
0.7
Consensus LogP
1.16
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
Class (SILICOS-IT)
Moderately 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)
-2.94

Drug-likeness / Medicinal Chemistry

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

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