CAS RN: 3076-63-9
TRILAURYL PHOSPHITE
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS3076-63-9
- Purity/Analytical Methods: >99.0%
3076-63-9 / tridodecyl phosphite
Basic Information
CAS
3076-63-9
Multi CAS
No
Molecular Formula
C36H75O3P
Molecular Weight
587.000000
Exact Mass
586.545383
InChI
InChI=1S/C36H75O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
InChIKey
IVIIAEVMQHEPAY-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder, Liquid; Liquid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
40
Fraction Csp3
1
Rotatable bonds
36
H-bond acceptors
3
Molar refractivity
180.31
TPSA
27.69
LogP / Solubility
WLOGP
14.03
MLOGP
12.39
XLogP3
16.8
Consensus LogP
14.41
Log S (ESOL)
-9.94
Class (ESOL)
Insoluble
Log S (Ali)
-14.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.44
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)
3.66
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
4
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