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CAS 19757-97-2 Methyl 2-hydroxy-2-methoxyacetate molecular structure lightbox
CAS RN: 19757-97-2

Methyl 2-hydroxy-2-methoxyacetate

  • Product code: SSC-093162
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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: 25g
  • Available purity: ≥95%
  • 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 19757-97-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

19757-97-2 / methyl 2-hydroxy-2-methoxyacetate

Standard CAS: 19757-97-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19757-97-2
Multi CAS
No
Molecular Formula
C4H8O4
Molecular Weight
120.100000
Exact Mass
120.042259
SMILES
COC(C(=O)OC)O
InChI
InChI=1S/C4H8O4/c1-7-3(5)4(6)8-2/h3,5H,1-2H3
InChIKey
OVJJVYHDJVQFSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
25.03
TPSA
55.76

LogP / Solubility

WLOGP
-0.88
MLOGP
-0.78
XLogP3
-0.6
Consensus LogP
-0.75
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.09
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.05
Class (SILICOS-IT)
Highly 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)
-4.07

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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