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CAS 53090-46-3 ETHYL 3-OXO-3-(THIOPHEN-3-YL)PROPANOATE molecular structure lightbox
CAS RN: 53090-46-3

ETHYL 3-OXO-3-(THIOPHEN-3-YL)PROPANOATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260701 25mg / 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-160291
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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: ＞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 53090-46-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

53090-46-3 / ethyl 3-oxo-3-thiophen-3-ylpropanoate

Standard CAS: 53090-46-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
53090-46-3
Multi CAS
Yes
Molecular Formula
C9H10O3S
Molecular Weight
198.240000
Exact Mass
198.035065
InChI
InChI=1S/C9H10O3S/c1-2-12-9(11)5-8(10)7-3-4-13-6-7/h3-4,6H,2,5H2,1H3
InChIKey
UVFAIFOWWYWRRD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
49.9
TPSA
43.37

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
1.7
Consensus LogP
1.75
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
Class (SILICOS-IT)
Moderately 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)
-2.59

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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