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CAS 676501-86-3 2-(5-methoxyfuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 676501-86-3

2-(5-methoxyfuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

  • Product code: SSC-177396
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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 676501-86-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

676501-86-3 / 2-(5-methoxyfuran-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Standard CAS: 676501-86-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
676501-86-3
Multi CAS
Yes
Molecular Formula
BC11H17O4
Molecular Weight
224.060000
Exact Mass
224.121989
InChI
InChI=1S/C11H17BO4/c1-10(2)11(3,4)16-12(15-10)8-6-7-9(13-5)14-8/h6-7H,1-5H3
InChIKey
JATVIVGOUHHYAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.98
TPSA
40.83

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
1.59
Consensus LogP
1.53
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.96

Drug-likeness / Medicinal Chemistry

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

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