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CAS 1224430-50-5 4-(2-Ethylhexyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene molecular structure lightbox
CAS RN: 1224430-50-5

4-(2-Ethylhexyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene

Product Availability

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251111 100mg Out of stock Inquiry
Batchno.20250101 1g Out of stock Inquiry
Batchno.20260417 250mg Out of stock Inquiry
Batchno.20251026 5g Out of stock Inquiry
  • Product code: SSC-025355
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1224430-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
1g >95% 2 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry

1224430-50-5 / 2-[4-(2-ethylhexyl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 1224430-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1224430-50-5
Multi CAS
No
Molecular Formula
C18H31BO2S
Molecular Weight
322.300000
Exact Mass
322.213782
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CS2)CC(CC)CCCC
InChI
InChI=1S/C18H31BO2S/c1-7-9-10-14(8-2)11-15-12-16(22-13-15)19-20-17(3,4)18(5,6)21-19/h12-14H,7-11H2,1-6H3
InChIKey
FXRUXCVEKBADLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.78
Rotatable bonds
7
H-bond acceptors
3
Molar refractivity
97.05
TPSA
18.46

LogP / Solubility

WLOGP
4.81
MLOGP
4.24
XLogP3
4.81
Consensus LogP
4.62
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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