CAS RN: 60763-39-5
isopropyl diphenyl phosphate
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS60763-39-5
- Purity/Analytical Methods: >99.0%
60763-39-5 / diphenyl propan-2-yl phosphate
Basic Information
CAS
60763-39-5
Multi CAS
No
Molecular Formula
C15H17O4P
Molecular Weight
292.270000
Exact Mass
292.086446
InChI
InChI=1S/C15H17O4P/c1-13(2)17-20(16,18-14-9-5-3-6-10-14)19-15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKey
YDICVVYPXSZSFA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
77.97
TPSA
44.76
LogP / Solubility
WLOGP
4.68
MLOGP
4.13
XLogP3
3.9
Consensus LogP
4.24
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.16
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.18
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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