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CAS 702-96-5 2,2,5,5-TETRAMETHYL-3-PYRROLIDINECARBOXAMIDE molecular structure lightbox
CAS RN: 702-96-5

2,2,5,5-TETRAMETHYL-3-PYRROLIDINECARBOXAMIDE

  • Product code: SSC-180010
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • 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 702-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Beijing Inquiry
5g >97% 0 Out of Stock Hong Kong Inquiry

702-96-5 / 2,2,5,5-tetramethylpyrrolidine-3-carboxamide

Standard CAS: 702-96-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
702-96-5
Multi CAS
Yes
Molecular Formula
C9H18N2O
Molecular Weight
170.250000
Exact Mass
170.141913
InChI
InChI=1S/C9H18N2O/c1-8(2)5-6(7(10)12)9(3,4)11-8/h6,11H,5H2,1-4H3,(H2,10,12)
InChIKey
POAGFQOGFRYOFM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.6
TPSA
55.12

LogP / Solubility

WLOGP
0.64
MLOGP
0.56
Consensus LogP
0.4
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.42
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)
-3.31

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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