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CAS 1115639-92-3 4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1115639-92-3

4,4,5,5-Tetramethyl-2-[3-(triphenylen-2-yl)phenyl]-1,3,2-dioxaborolane

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250131 1g In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260309 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251113 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-012215
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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: 5g
  • Available purity: ≥98%
  • 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 1115639-92-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shenzhen Inquiry

1115639-92-3 / 4,4,5,5-tetramethyl-2-(3-triphenylen-2-ylphenyl)-1,3,2-dioxaborolane

4,4,5,5-Tetramethyl-2-[10-(1-naphthyl)anthracen-9-yl]-1,3,2-dioxaborolane | MFCD30470497 | 4,4,5,5-Tetramethyl-2-[10-(1-naphthalenyl)-9-anthracenyl]-1,3,2-dioxaborolane

Standard CAS: 1115639-92-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1115639-92-3
Multi CAS
Yes
Molecular Formula
C30H27BO2
Molecular Weight
430.300000
Exact Mass
430.210410
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C3=CC4=C(C=C3)C5=CC=CC=C5C6=CC=CC=C64
InChI
InChI=1S/C30H27BO2/c1-29(2)30(3,4)33-31(32-29)22-11-9-10-20(18-22)21-16-17-27-25-14-6-5-12-23(25)24-13-7-8-15-26(24)28(27)19-21/h5-19H,1-4H3
InChIKey
NZTBACVVLACPNL-UHFFFAOYSA-N
Synonyms
4,4,5,5-Tetramethyl-2-[10-(1-naphthyl)anthracen-9-yl]-1,3,2-dioxaborolane MFCD30470497 4,4,5,5-Tetramethyl-2-[10-(1-naphthalenyl)-9-anthracenyl]-1,3,2-dioxaborolane 4,4,5,5-tetramethyl-2-(10-(naphthalen-1-yl)anthracen-9-yl)-1,3,2-dioxaborolane 4,4,5,5-tetramethyl-2-(10-naphthalen-1-ylanthracen-9-yl)-1,3,2-dioxaborolane

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
140.11
TPSA
18.46

LogP / Solubility

WLOGP
7.11
MLOGP
6.29
XLogP3
7.11
Consensus LogP
6.84
Log S (ESOL)
-7.4
Class (ESOL)
Insoluble
Log S (Ali)
-8.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.6
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)
-0.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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