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CAS 1126-93-8 2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1126-93-8

2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • Product code: SSC-012960
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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: 25g
  • 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 1126-93-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Beijing Inquiry

1126-93-8 / 2-ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | DTXSID60508219 | RefChem:260322

Standard CAS: 1126-93-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1126-93-8
Multi CAS
No
Molecular Formula
C8H17BO3
Molecular Weight
172.030000
Exact Mass
172.127075
SMILES
B1(OC(C(O1)(C)C)(C)C)OCC
InChI
InChI=1S/C8H17BO3/c1-6-10-9-11-7(2,3)8(4,5)12-9/h6H2,1-5H3
InChIKey
AWCHCIVACATJJS-UHFFFAOYSA-N
Synonyms
2-Ethoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane DTXSID60508219 RefChem:260322 DTXCID70459026 805-832-5

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
47.71
TPSA
27.69

LogP / Solubility

WLOGP
1.61
MLOGP
1.42
XLogP3
1.61
Consensus LogP
1.55
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.63

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501

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