CAS RN: 3028-88-4

Trioctyl Phosphite (mixture)

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Batchno.20250108 5g Out of stock Inquiry
  • Product code: ICTP0386
  • Purity/Analytical Methods: >85.0%(T)
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3028-88-4 / trioctyl phosphite

Standard CAS: 3028-88-4 Multi CAS: No

Basic Information

CAS
3028-88-4
Multi CAS
No
Molecular Formula
C24H51O3P
Molecular Weight
418.600000
Exact Mass
418.357582
InChI
InChI=1S/C24H51O3P/c1-4-7-10-13-16-19-22-25-28(26-23-20-17-14-11-8-5-2)27-24-21-18-15-12-9-6-3/h4-24H2,1-3H3
InChIKey
QOQNJVLFFRMJTQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
1
Rotatable bonds
24
H-bond acceptors
3
Molar refractivity
124.9
TPSA
27.69

LogP / Solubility

WLOGP
9.34
MLOGP
8.25
XLogP3
10.3
Consensus LogP
9.3
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-9.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.02
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)
1.36

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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