![CAS 342794-47-2 4,6,12,14-tetra-tert-butyl-9-hydroxy-8,10-dioxa-9λ-phosphatricyclo[9.4.0.02,] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/342794-47-2.gif)
CAS RN: 342794-47-2
4,6,12,14-tetra-tert-butyl-9-hydroxy-8,10-dioxa-9λ-phosphatricyclo[9.4.0.02,]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS342794-47-2
- Purity/Analytical Methods: >99.0%
342794-47-2 / 2,4,8,10-tetratert-butyl-6-hydroxybenzo[d][1,3,2]benzodioxaphosphepine 6-oxide
Basic Information
CAS
342794-47-2
Multi CAS
Yes
Molecular Formula
C28H41O4P
Molecular Weight
472.600000
Exact Mass
472.274247
InChI
InChI=1S/C28H41O4P/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)32-33(29,30)31-23(19)21(15-17)27(7,8)9/h13-16H,1-12H3,(H,29,30)
InChIKey
MZOUQTBTFBBHFT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
137.76
TPSA
55.76
LogP / Solubility
WLOGP
8.42
MLOGP
7.44
XLogP3
9
Consensus LogP
8.29
Log S (ESOL)
-8.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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