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CAS 65467-75-6 Di(dioctylpyrophosphato) ethylene titanate molecular structure lightbox
CAS RN: 65467-75-6

Di(dioctylpyrophosphato) ethylene titanate

  • Product code: SSC-175124
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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: 100g
  • 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 65467-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Beijing Inquiry

65467-75-6 / bis(bis(2-ethylhexoxy)phosphoryl phosphate);ethane-1,2-diolate;hydron;titanium(4+)

Standard CAS: 65467-75-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65467-75-6
Multi CAS
Yes
Molecular Formula
C34H74O16P4Ti
Molecular Weight
910.700000
Exact Mass
910.340675
InChI
InChI=1S/2C16H36O7P2.C2H4O2.Ti/c2*1-5-9-11-15(7-3)13-21-25(20,23-24(17,18)19)22-14-16(8-4)12-10-6-2;3-1-2-4;/h2*15-16H,5-14H2,1-4H3,(H2,17,18,19);1-2H2;/q;;-2;+4/p-2
InChIKey
KOEFSMLBFZGZLD-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
55
Fraction Csp3
1
Rotatable bonds
33
H-bond acceptors
16
H-bond donors
2
Molar refractivity
201.59
TPSA
262.02

LogP / Solubility

WLOGP
6.74
MLOGP
6.02
XLogP3
6.74
Consensus LogP
6.5
Log S (ESOL)
-7.56
Class (ESOL)
Insoluble
Log S (Ali)
-11.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.49

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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