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CAS 853073-44-6 Di-tert-butylmethylphosphonium Tetraphenylborate molecular structure lightbox
CAS RN: 853073-44-6

Di-tert-butylmethylphosphonium Tetraphenylborate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250513 1g Out of stock Inquiry
  • Product code: SSC-193662
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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 853073-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

853073-44-6 / ditert-butyl(methyl)phosphanium;tetraphenylboranuide

Standard CAS: 853073-44-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
853073-44-6
Multi CAS
No
Molecular Formula
BC33H42P
Molecular Weight
480.500000
Exact Mass
480.311719
InChI
InChI=1S/C24H20B.C9H21P/c1-5-13-21(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;1-8(2,3)10(7)9(4,5)6/h1-20H;1-7H3/q-1;/p+1
InChIKey
GPICDLFVQCUBQN-UHFFFAOYSA-O

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
163.8
TPSA
0.0000

LogP / Solubility

WLOGP
6.49
MLOGP
5.75
XLogP3
6.49
Consensus LogP
6.24
Log S (ESOL)
-7.15
Class (ESOL)
Insoluble
Log S (Ali)
-8.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.65
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)
-1.04

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
3

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