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CAS 1864053-11-1 Ethyl 2-(8H-Indeno[1,2-c]thiophen-8-yl)acetate molecular structure lightbox
CAS RN: 1864053-11-1

Ethyl 2-(8H-Indeno[1,2-c]thiophen-8-yl)acetate

  • Product code: SSC-086479
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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, 0.25g, 5g, 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1864053-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.25g ≥95% 2 In Stock Shanghai Inquiry
5g ≥95% 2 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Shanghai Inquiry

1864053-11-1 / ethyl 2-(4H-indeno[2,3-c]thiophen-4-yl)acetate

Standard CAS: 1864053-11-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864053-11-1
Multi CAS
No
Molecular Formula
C15H14O2S
Molecular Weight
258.300000
Exact Mass
258.071451
SMILES
CCOC(=O)CC1C2=CC=CC=C2C3=CSC=C13
InChI
InChI=1S/C15H14O2S/c1-2-17-15(16)7-12-10-5-3-4-6-11(10)13-8-18-9-14(12)13/h3-6,8-9,12H,2,7H2,1H3
InChIKey
DRVWXWRUAQILHD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.85
TPSA
26.3

LogP / Solubility

WLOGP
3.81
MLOGP
3.36
XLogP3
3.2
Consensus LogP
3.46
Log S (ESOL)
-4.1
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

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

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