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CAS 1073339-14-6 2,2′-(4,5,6-Trifluorobenzene-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) molecular structure lightbox
CAS RN: 1073339-14-6

2,2′-(4,5,6-Trifluorobenzene-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250202 25mg / 50mg / 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008882
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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 1073339-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1073339-14-6 / 4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

2,2'-(4,5,6-TRIFLUORO-1,3-PHENYLENE)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE) | 2,2'-(4,5,6-Trifluorobenzene-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) | MFCD12407210

Standard CAS: 1073339-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1073339-14-6
Multi CAS
No
Molecular Formula
C18H25B2F3O4
Molecular Weight
384.000000
Exact Mass
384.189104
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2F)F)F)B3OC(C(O3)(C)C)(C)C
InChI
InChI=1S/C18H25B2F3O4/c1-15(2)16(3,4)25-19(24-15)10-9-11(13(22)14(23)12(10)21)20-26-17(5,6)18(7,8)27-20/h9H,1-8H3
InChIKey
GUZIQVMHGOZWTN-UHFFFAOYSA-N
Synonyms
2,2'-(4,5,6-TRIFLUORO-1,3-PHENYLENE)BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE) 2,2'-(4,5,6-Trifluorobenzene-1,3-diyl)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) MFCD12407210 4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane YSZC2007

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
97.75
TPSA
36.92

LogP / Solubility

WLOGP
2.7
MLOGP
2.4
XLogP3
2.7
Consensus LogP
2.6
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.14

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
2.5

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