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CAS 61202-99-1 Ethyl 2-oxo-2-(2-oxotetrahydro-2H-pyran-3-yl)acetate molecular structure lightbox
CAS RN: 61202-99-1

Ethyl 2-oxo-2-(2-oxotetrahydro-2H-pyran-3-yl)acetate

  • Product code: SSC-169995
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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: 5g
  • 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 61202-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

61202-99-1 / ethyl 2-oxo-2-(2-oxooxan-3-yl)acetate

Standard CAS: 61202-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
61202-99-1
Multi CAS
No
Molecular Formula
C9H12O5
Molecular Weight
200.190000
Exact Mass
200.068473
InChI
InChI=1S/C9H12O5/c1-2-13-9(12)7(10)6-4-3-5-14-8(6)11/h6H,2-5H2,1H3
InChIKey
QOXATIJSJKOWHZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
45.32
TPSA
69.67

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.9
Consensus LogP
0.34
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.38
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)
-3.89

Drug-likeness / Medicinal Chemistry

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

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