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CAS 1010840-17-1 1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyne molecular structure lightbox
CAS RN: 1010840-17-1

1,2-Bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyne

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260304 1g In stock Inquiry
Batchno.20250816 500mg In stock Inquiry
  • Product code: SSC-001951
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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: ≥95%
  • 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 1010840-17-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1010840-17-1 / 4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane

4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane | 4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane | RefChem:507070

Standard CAS: 1010840-17-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1010840-17-1
Multi CAS
No
Molecular Formula
C14H24B2O4
Molecular Weight
278.000000
Exact Mass
278.186070
SMILES
B1(OC(C(O1)(C)C)(C)C)C#CB2OC(C(O2)(C)C)(C)C
InChI
InChI=1S/C14H24B2O4/c1-11(2)12(3,4)18-15(17-11)9-10-16-19-13(5,6)14(7,8)20-16/h1-8H3
InChIKey
FABDBLONUBCKBB-UHFFFAOYSA-N
Synonyms
4,4,5,5-tetramethyl-2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl]-1,3,2-dioxaborolane 4,4,5,5-Tetramethyl-2-(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethynyl)-1,3,2-dioxaborolane RefChem:507070 992-429-3 1,2-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethyne

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
79.94
TPSA
36.92

LogP / Solubility

WLOGP
2.25
MLOGP
1.99
XLogP3
2.25
Consensus LogP
2.16
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.34
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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