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CAS 4891-44-5 2-(2-Ethylhexyl)thiophene molecular structure lightbox
CAS RN: 4891-44-5

2-(2-Ethylhexyl)thiophene

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250916 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250104 1ml / 5ml / 25ml Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260617 25g Out of stock Inquiry
Batchno.20250723 5g In stock Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-155463
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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, 10g, 25g
  • Available purity: ≥97%
  • 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 4891-44-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 2 In Stock Hong Kong Inquiry
0.25g ≥97% 1 In Stock Beijing Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
10g ≥97% 1 In Stock Shenzhen Inquiry
25g ≥97% 0 Out of Stock Shenzhen Inquiry

4891-44-5 / 2-(2-ethylhexyl)thiophene

Standard CAS: 4891-44-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4891-44-5
Multi CAS
Yes
Molecular Formula
C12H20S
Molecular Weight
196.350000
Exact Mass
196.128572
InChI
InChI=1S/C12H20S/c1-3-5-7-11(4-2)10-12-8-6-9-13-12/h6,8-9,11H,3-5,7,10H2,1-2H3
InChIKey
JACCFQMSOHCQFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.67
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
61.33
TPSA
28.2000

LogP / Solubility

WLOGP
4.51
MLOGP
3.97
XLogP3
5.4
Consensus LogP
4.63
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.4
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.72

Drug-likeness / Medicinal Chemistry

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

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