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CAS 929103-40-2 2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene molecular structure lightbox
CAS RN: 929103-40-2

2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylene

  • Product code: SSC-206839
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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 929103-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

929103-40-2 / 4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triphenylen-2-yl]-1,3,2-dioxaborolane

Standard CAS: 929103-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
929103-40-2
Multi CAS
No
Molecular Formula
B2C30H34O4
Molecular Weight
480.200000
Exact Mass
480.264320
InChI
InChI=1S/C30H34B2O4/c1-27(2)28(3,4)34-31(33-27)19-13-15-23-24-16-14-20(32-35-29(5,6)30(7,8)36-32)18-26(24)22-12-10-9-11-21(22)25(23)17-19/h9-18H,1-8H3
InChIKey
PGKQJNOISHJIBI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
150.39
TPSA
36.92

LogP / Solubility

WLOGP
5.74
MLOGP
5.09
XLogP3
5.74
Consensus LogP
5.52
Log S (ESOL)
-6.67
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.79
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)
-1.57

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
5.5

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