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CAS 181259-35-8 TETRAKIS(4-METHYLPHENYL)BORANE-TETRAPHENYLPHOSPHINE COMPLEX molecular structure lightbox
CAS RN: 181259-35-8

TETRAKIS(4-METHYLPHENYL)BORANE-TETRAPHENYLPHOSPHINE COMPLEX

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 1g In stock Shandong Inquiry
Batchno.20260701 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-082423
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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: ＞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 181259-35-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞95% 0 Out of Stock Hong Kong Inquiry

181259-35-8 / tetrakis(4-methylphenyl)boranuide;tetraphenylphosphanium

Standard CAS: 181259-35-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
181259-35-8
Multi CAS
No
Molecular Formula
C52H48BP
Molecular Weight
714.700000
Exact Mass
714.358669
SMILES
[B-](C1=CC=C(C=C1)C)(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H28B.C24H20P/c1-21-5-13-25(14-6-21)29(26-15-7-22(2)8-16-26,27-17-9-23(3)10-18-27)28-19-11-24(4)12-20-28;1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h5-20H,1-4H3;1-20H/q-1;+1
InChIKey
FAYPBNFHFCEUQZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
54
Aromatic heavy atom count
48
Fraction Csp3
0.08
Rotatable bonds
8
H-bond acceptors
1
Molar refractivity
240.23
TPSA
0.0000

LogP / Solubility

WLOGP
8.6
MLOGP
7.63
XLogP3
8.6
Consensus LogP
8.28
Log S (ESOL)
-9.82
Class (ESOL)
Insoluble
Log S (Ali)
-11.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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