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CAS 88986-89-4 2-Propanone, 1-(2-methoxyethoxy)- (9CI) molecular structure lightbox
CAS RN: 88986-89-4

2-Propanone, 1-(2-methoxyethoxy)- (9CI)

  • Product code: SSC-200703
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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
  • Available purity: >95%
  • 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 88986-89-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Hong Kong Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry

88986-89-4 / 1-(2-methoxyethoxy)propan-2-one

Standard CAS: 88986-89-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88986-89-4
Multi CAS
Yes
Molecular Formula
C6H12O3
Molecular Weight
132.160000
Exact Mass
132.078644
InChI
InChI=1S/C6H12O3/c1-6(7)5-9-4-3-8-2/h3-5H2,1-2H3
InChIKey
MSYGEAQDQJEOCJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
33.38
TPSA
35.53

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
-0.3
Consensus LogP
0.05
Log S (ESOL)
-0.48
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very 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)
-3.36

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
1.5

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