![CAS 656233-53-3 (11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1′,7′-FG][1,3,2]DIOXAPHOSPHOCIN-5-PHENOXY molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/656233-53-3.gif)
CAS RN: 656233-53-3
(11AR)-(+)-10,11,12,13-TETRAHYDRODIINDENO[7,1-DE:1′,7′-FG][1,3,2]DIOXAPHOSPHOCIN-5-PHENOXY
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS656233-53-3
- Purity/Analytical Methods: >99.0%
656233-53-3 / 12-phenoxy-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
Basic Information
CAS
656233-53-3
Multi CAS
Yes
Molecular Formula
C23H19O3P
Molecular Weight
374.400000
Exact Mass
374.107181
InChI
InChI=1S/C23H19O3P/c1-2-8-18(9-3-1)24-27-25-19-10-4-6-16-12-14-23(21(16)19)15-13-17-7-5-11-20(26-27)22(17)23/h1-11H,12-15H2
InChIKey
JVANYVSBBJFGMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
105.55
TPSA
27.69
LogP / Solubility
WLOGP
5.94
MLOGP
5.25
XLogP3
6.5
Consensus LogP
5.9
Log S (ESOL)
-6.27
Class (ESOL)
Insoluble
Log S (Ali)
-6.92
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.27
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)
-0.78
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
5
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