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CAS 51514-36-4 1-(3-Methoxythien-2-yl)ethanone molecular structure lightbox
CAS RN: 51514-36-4

1-(3-Methoxythien-2-yl)ethanone

  • Product code: SSC-158385
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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 51514-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

51514-36-4 / 1-(3-methoxythiophen-2-yl)ethanone

Standard CAS: 51514-36-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51514-36-4
Multi CAS
No
Molecular Formula
C7H8O2S
Molecular Weight
156.200000
Exact Mass
156.024501
InChI
InChI=1S/C7H8O2S/c1-5(8)7-6(9-2)3-4-10-7/h3-4H,1-2H3
InChIKey
NXPSPTQOPSNBNC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
40.88
TPSA
26.3

LogP / Solubility

WLOGP
1.96
MLOGP
1.72
XLogP3
1.6
Consensus LogP
1.76
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
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)
-2.28

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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