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CAS 579503-59-6 5′-HEXYL-2,2′-BITHIOPHENE-5-BORONIC ACID PINACOL ESTER molecular structure lightbox
CAS RN: 579503-59-6

5′-HEXYL-2,2′-BITHIOPHENE-5-BORONIC ACID PINACOL ESTER

Product Availability

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6 package records4 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250810 1g In stock Inquiry
Batchno.20260129 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260617 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250504 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250307 1g Out of stock 8-10 business days Inquiry
Batchno.20250810 250mg In stock Shanghai Inquiry
  • Product code: SSC-166148
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 579503-59-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

579503-59-6 / 2-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 579503-59-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
579503-59-6
Multi CAS
No
Molecular Formula
BC20H29O2S2
Molecular Weight
376.400000
Exact Mass
376.170203
InChI
InChI=1S/C20H29BO2S2/c1-6-7-8-9-10-15-11-12-16(24-15)17-13-14-18(25-17)21-22-19(2,3)20(4,5)23-21/h11-14H,6-10H2,1-5H3
InChIKey
XTTRNSNHDCYSEL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
111.19
TPSA
18.46

LogP / Solubility

WLOGP
5.9
MLOGP
5.21
XLogP3
5.9
Consensus LogP
5.67
Log S (ESOL)
-5.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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