![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)
CAS RN: 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”
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260411 | 100mg | Out of stock | Inquiry | ||
| Batchno.20251126 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250920 | 1g | In stock | Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251212 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: starshine_CAS500997-68-2
- Purity/Analytical Methods: >99.0%
500997-68-2 / N,N-dicyclohexyl-9,10-dihydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocin-5-amine
Basic Information
CAS
500997-68-2
Multi CAS
Yes
Molecular Formula
C29H34NO2P
Molecular Weight
459.600000
Exact Mass
459.232716
InChI
InChI=1S/C29H36NO2P/c1-3-11-23(12-4-1)30(24-13-5-2-6-14-24)33-31-25-15-7-9-21-17-19-29(27(21)25)20-18-22-10-8-16-26(32-33)28(22)29/h7-10,15-16,23-24H,1-6,11-14,17-20H2
InChIKey
FYKMEVOKXOBYBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
135.19
TPSA
21.7
LogP / Solubility
WLOGP
7.71
MLOGP
6.81
XLogP3
7
Consensus LogP
7.17
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-8.89
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.05
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
6.5
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