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CAS 7040-23-5 Dimethyl 2,2′-Oxydiacetate molecular structure lightbox
CAS RN: 7040-23-5

Dimethyl 2,2′-Oxydiacetate

  • Product code: SSC-180204
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 7040-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Hong Kong Inquiry

7040-23-5 / methyl 2-(2-methoxy-2-oxoethoxy)acetate

Standard CAS: 7040-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
7040-23-5
Multi CAS
No
Molecular Formula
C6H10O5
Molecular Weight
162.140000
Exact Mass
162.052823
InChI
InChI=1S/C6H10O5/c1-9-5(7)3-11-4-6(8)10-2/h3-4H2,1-2H3
InChIKey
KUCRTUQUAYLJDC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
34.85
TPSA
61.83

LogP / Solubility

WLOGP
-0.65
MLOGP
-0.58
XLogP3
-0.1
Consensus LogP
-0.44
Log S (ESOL)
-0.17
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.17

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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