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CAS 78-33-1 TRI-(P-TERT-BUTYLPHENYL) PHOSPHATE molecular structure lightbox
CAS RN: 78-33-1

TRI-(P-TERT-BUTYLPHENYL) PHOSPHATE

  • Product code: SSC-187538
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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 78-33-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

78-33-1 / tris(4-tert-butylphenyl) phosphate

Standard CAS: 78-33-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
78-33-1
Multi CAS
Yes
Molecular Formula
C30H39O4P
Molecular Weight
494.600000
Exact Mass
494.258597
InChI
InChI=1S/C30H39O4P/c1-28(2,3)22-10-16-25(17-11-22)32-35(31,33-26-18-12-23(13-19-26)29(4,5)6)34-27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3
InChIKey
LORSVOJSXMHDHF-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
144.92
TPSA
44.76

LogP / Solubility

WLOGP
9.22
MLOGP
8.15
XLogP3
9
Consensus LogP
8.79
Log S (ESOL)
-8.7
Class (ESOL)
Insoluble
Log S (Ali)
-10.28
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.25
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)
0.81

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
2.5

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