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CAS 2168391-80-6 3-(Chloromethyl)-1,3-dimethyl-2-azetidinone molecular structure lightbox
CAS RN: 2168391-80-6

3-(Chloromethyl)-1,3-dimethyl-2-azetidinone

  • Product code: SSC-104220
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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, 0.1g, 0.25g
  • 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 2168391-80-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 3 In Stock Shenzhen Inquiry
0.1g ≥97% 2 In Stock Shanghai Inquiry
0.25g ≥97% 2 In Stock Beijing Inquiry

2168391-80-6 / 3-(chloromethyl)-1,3-dimethylazetidin-2-one

Standard CAS: 2168391-80-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2168391-80-6
Multi CAS
No
Molecular Formula
C6H10ClNO
Molecular Weight
147.600000
Exact Mass
147.045092
SMILES
CC1(CN(C1=O)C)CCl
InChI
InChI=1S/C6H10ClNO/c1-6(3-7)4-8(2)5(6)9/h3-4H2,1-2H3
InChIKey
PRUVHEIBYOLAAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
36.46
TPSA
20.31

LogP / Solubility

WLOGP
0.7
MLOGP
0.61
XLogP3
0.4
Consensus LogP
0.57
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.32
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)
-3.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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