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CAS 2242694-16-0 2-(1-bicyclo[1.1.1]pentanyl)acetamide molecular structure lightbox
CAS RN: 2242694-16-0

2-(1-bicyclo[1.1.1]pentanyl)acetamide

  • Product code: SSC-109352
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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: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 2242694-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Shenzhen Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g >97% 2 In Stock Shanghai Inquiry

2242694-16-0 / 2-(1-bicyclo[1.1.1]pentanyl)acetamide

Standard CAS: 2242694-16-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2242694-16-0
Multi CAS
No
Molecular Formula
C7H11NO
Molecular Weight
125.170000
Exact Mass
125.084064
SMILES
C1C2CC1(C2)CC(=O)N
InChI
InChI=1S/C7H11NO/c8-6(9)4-7-1-5(2-7)3-7/h5H,1-4H2,(H2,8,9)
InChIKey
SQZFBLUCKSNRSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
33.59
TPSA
43.09

LogP / Solubility

WLOGP
0.66
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-0.9
Class (ESOL)
Very soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.26
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)
-3.01

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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