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CAS 4075-58-5 ETHYL THIOPHENE-2-GLYOXYLATE molecular structure lightbox
CAS RN: 4075-58-5

ETHYL THIOPHENE-2-GLYOXYLATE

  • Product code: SSC-149083
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4075-58-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 2 In Stock Hong Kong Inquiry
5g >95% 2 In Stock Beijing Inquiry
10g >95% 2 In Stock Shanghai Inquiry
25g >95% 2 In Stock Hong Kong Inquiry
100g >95% 2 In Stock Hong Kong Inquiry

4075-58-5 / ethyl 2-oxo-2-thiophen-2-ylacetate

Standard CAS: 4075-58-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4075-58-5
Multi CAS
Yes
Molecular Formula
C8H8O3S
Molecular Weight
184.210000
Exact Mass
184.019415
InChI
InChI=1S/C8H8O3S/c1-2-11-8(10)7(9)6-4-3-5-12-6/h3-5H,2H2,1H3
InChIKey
GHOVLEQTRNXASK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
45.28
TPSA
43.37

LogP / Solubility

WLOGP
1.49
MLOGP
1.31
XLogP3
1.8
Consensus LogP
1.53
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.78

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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