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CAS 66899-02-3 4,4-dimethyl-2-pyrrolidinone molecular structure lightbox
CAS RN: 66899-02-3

4,4-dimethyl-2-pyrrolidinone

  • Product code: SSC-176548
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66899-02-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 4 In Stock Shanghai Inquiry
10g >97% 4 In Stock Shanghai Inquiry
25g >97% 4 In Stock Hong Kong Inquiry
0.25g >97% 3 In Stock Hong Kong Inquiry

66899-02-3 / 4,4-dimethylpyrrolidin-2-one

Standard CAS: 66899-02-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66899-02-3
Multi CAS
No
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
InChI
InChI=1S/C6H11NO/c1-6(2)3-5(8)7-4-6/h3-4H2,1-2H3,(H,7,8)
InChIKey
HGVPKAGCVCGRDQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.41
TPSA
29.1

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.4
Consensus LogP
0.46
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.87
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.84
Class (SILICOS-IT)
Very 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)
-3.03

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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