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CAS 388109-26-0 Tetrahydro-3-oxo-2H-pyran-4-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 388109-26-0

Tetrahydro-3-oxo-2H-pyran-4-carboxylic acid ethyl ester

  • Product code: SSC-146431
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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: 0.1g, 0.25g, 1g, 5g
  • 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 388109-26-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Beijing Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

388109-26-0 / ethyl 3-oxooxane-4-carboxylate

Standard CAS: 388109-26-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
388109-26-0
Multi CAS
No
Molecular Formula
C8H12O4
Molecular Weight
172.180000
Exact Mass
172.073559
InChI
InChI=1S/C8H12O4/c1-2-12-8(10)6-3-4-11-5-7(6)9/h6H,2-5H2,1H3
InChIKey
APAWJCZGOJKZPB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
40.57
TPSA
52.6

LogP / Solubility

WLOGP
0.16
MLOGP
0.13
XLogP3
0.5
Consensus LogP
0.26
Log S (ESOL)
-0.87
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.66

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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