![CAS 930784-57-9 (11aR)-10,11,12,13-tetrahydro-N,N,3,7-tetramethyl-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/930784-57-9.gif)
CAS RN: 930784-57-9
(11aR)-10,11,12,13-tetrahydro-N,N,3,7-tetramethyl-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-amine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251007 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS930784-57-9
- Purity/Analytical Methods: >99.0%
930784-57-9 / N,N,1,10-tetramethyl-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-amine
Basic Information
CAS
930784-57-9
Multi CAS
No
Molecular Formula
C21H24NO2P
Molecular Weight
353.400000
Exact Mass
353.154466
InChI
InChI=1S/C21H24NO2P/c1-13-5-7-15-9-11-21-12-10-16-8-6-14(2)20(18(16)21)24-25(22(3)4)23-19(13)17(15)21/h5-8H,9-12H2,1-4H3
InChIKey
ISKVIQQFJQRUBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
101.64
TPSA
21.7
LogP / Solubility
WLOGP
5.04
MLOGP
4.46
XLogP3
5.6
Consensus LogP
5.03
Log S (ESOL)
-5.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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