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CAS 3063-79-4 1-(4-METHYLPHENYL)-2-PYRROLIDINONE molecular structure lightbox
CAS RN: 3063-79-4

1-(4-METHYLPHENYL)-2-PYRROLIDINONE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251006 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS3063-79-4
  • Purity/Analytical Methods: >99.0%
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3063-79-4 / 1-(4-methylphenyl)pyrrolidin-2-one

Standard CAS: 3063-79-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3063-79-4
Multi CAS
Yes
Molecular Formula
C11H13NO
Molecular Weight
175.230000
Exact Mass
175.099714
InChI
InChI=1S/C11H13NO/c1-9-4-6-10(7-5-9)12-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3
InChIKey
ORPHOKOVVUFNKE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
52.77
TPSA
20.31

LogP / Solubility

WLOGP
2.12
MLOGP
1.86
XLogP3
1.7
Consensus LogP
1.89
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
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)
-2.28

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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