CAS RN: 80584-85-6
Tetraphenyl dipropyleneglycol diphosphite
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS80584-85-6
- Purity/Analytical Methods: >99.0%
80584-85-6 / 1-(2-diphenoxyphosphanyloxypropoxy)propan-2-yl diphenyl phosphite
Basic Information
CAS
80584-85-6
Multi CAS
No
Molecular Formula
C30H32O7P2
Molecular Weight
566.500000
Exact Mass
566.162327
InChI
InChI=1S/C30H32O7P2/c1-25(32-38(34-27-15-7-3-8-16-27)35-28-17-9-4-10-18-28)23-31-24-26(2)33-39(36-29-19-11-5-12-20-29)37-30-21-13-6-14-22-30/h3-22,25-26H,23-24H2,1-2H3
InChIKey
XZZWOTQMUOIIFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
16
H-bond acceptors
7
Molar refractivity
154.03
TPSA
64.61
LogP / Solubility
WLOGP
8.58
MLOGP
7.6
XLogP3
7.9
Consensus LogP
8.03
Log S (ESOL)
-8.16
Class (ESOL)
Insoluble
Log S (Ali)
-10.4
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.08
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
5.5
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