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CAS 2006277-69-4 2-(8H-Indeno[1,2-c]thiophen-8-yl)ethanol molecular structure lightbox
CAS RN: 2006277-69-4

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

  • Product code: SSC-094516
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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, 0.1g, 0.25g
  • 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 2006277-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
5g ≥95% 3 In Stock Beijing Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Beijing Inquiry

2006277-69-4 / 2-(4H-indeno[2,3-c]thiophen-4-yl)ethanol

Standard CAS: 2006277-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2006277-69-4
Multi CAS
No
Molecular Formula
C13H12OS
Molecular Weight
216.300000
Exact Mass
216.060886
SMILES
C1=CC=C2C(=C1)C(C3=CSC=C23)CCO
InChI
InChI=1S/C13H12OS/c14-6-5-11-9-3-1-2-4-10(9)12-7-15-8-13(11)12/h1-4,7-8,11,14H,5-6H2
InChIKey
MZUKZVGCSFZCNX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.3
TPSA
20.23

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.7
Consensus LogP
2.93
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.74

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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