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CAS 68695-48-7 DI-TERT-BUTYLPHOSPHATE, TETRABUTYLAMMONIUM SALT molecular structure lightbox
CAS RN: 68695-48-7

DI-TERT-BUTYLPHOSPHATE, TETRABUTYLAMMONIUM SALT

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250306 100g In stock Inquiry
Batchno.20251228 1g In stock Inquiry
Batchno.20251215 25g In stock Inquiry
Batchno.20251103 5g In stock Inquiry
  • Product code: SSC-178386
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.25g, 1g, 5g, 10g, 25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 68695-48-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Hong Kong Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 2 In Stock Shanghai Inquiry
10g >95% 2 In Stock Beijing Inquiry
25g >95% 1 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Shenzhen Inquiry

68695-48-7 / ditert-butyl phosphate;tetrabutylazanium

Standard CAS: 68695-48-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68695-48-7
Multi CAS
Yes
Molecular Formula
C24H54NO4P
Molecular Weight
451.700000
Exact Mass
451.379046
InChI
InChI=1S/C16H36N.C8H19O4P/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(2,3)11-13(9,10)12-8(4,5)6/h5-16H2,1-4H3;1-6H3,(H,9,10)/q+1;/p-1
InChIKey
ZMBZPMVMLZIOPS-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
1
Rotatable bonds
14
H-bond acceptors
4
Molar refractivity
128.64
TPSA
58.59

LogP / Solubility

WLOGP
7.09
MLOGP
6.27
XLogP3
7.09
Consensus LogP
6.82
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-8.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.16
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.44

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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