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CAS 88221-12-9 2-Pyrrolidinone, 4-(2-Thienyl) molecular structure lightbox
CAS RN: 88221-12-9

2-Pyrrolidinone, 4-(2-Thienyl)

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Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250609 100mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88221-12-9
  • Purity/Analytical Methods: >99.0%
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88221-12-9 / 4-thiophen-2-ylpyrrolidin-2-one

Standard CAS: 88221-12-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88221-12-9
Multi CAS
No
Molecular Formula
C8H9NOS
Molecular Weight
167.230000
Exact Mass
167.040485
InChI
InChI=1S/C8H9NOS/c10-8-4-6(5-9-8)7-2-1-3-11-7/h1-3,6H,4-5H2,(H,9,10)
InChIKey
IUUVRTUBDHFZDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
44.69
TPSA
29.1

LogP / Solubility

WLOGP
1.35
MLOGP
1.19
XLogP3
0.7
Consensus LogP
1.08
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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