![CAS 500997-67-1 “(11aR)-10,11,12,13-tetrahydro-N,N-bis(1-methylethyl)-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/500997-67-1.gif)
CAS RN: 500997-67-1
“(11aR)-10,11,12,13-tetrahydro-N,N-bis(1-methylethyl)-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-amine”
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250210 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251126 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20250810 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250727 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250111 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS500997-67-1
- Purity/Analytical Methods: >99.0%
500997-67-1 / N,N-di(propan-2-yl)-4,5,6,7-tetrahydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-12-amine
Basic Information
CAS
500997-67-1
Multi CAS
Yes
Molecular Formula
C23H28NO2P
Molecular Weight
381.400000
Exact Mass
381.185766
InChI
InChI=1S/C23H28NO2P/c1-15(2)24(16(3)4)27-25-19-9-5-7-17-11-13-23(21(17)19)14-12-18-8-6-10-20(26-27)22(18)23/h5-10,15-16H,11-14H2,1-4H3
InChIKey
SXKRSJWFFJRTEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
110.59
TPSA
21.7
LogP / Solubility
WLOGP
5.98
MLOGP
5.29
XLogP3
6.4
Consensus LogP
5.89
Log S (ESOL)
-6.1
Class (ESOL)
Insoluble
Log S (Ali)
-7.01
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.46
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.8
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
4.5
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![CAS 500997-68-2 “(11aR)- N,N-dicyclohexyl-10,11,12,13-tetrahydro-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-amine” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/500997-68-2.gif)
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