![CAS 912457-08-0 Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin,5-(1,1-dimethylethyl)-10,11,12,13-tetrahydro-, (11aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912457-08-0.gif)
CAS RN: 912457-08-0
Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin,5-(1,1-dimethylethyl)-10,11,12,13-tetrahydro-, (11aS)-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250511 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS912457-08-0
- Purity/Analytical Methods: >99.0%
912457-08-0 / 6-tert-butyl-1,2-dihydroiindeno[7,1-de:1',7'-fg][1,3,2]dioxaphosphocine
Basic Information
CAS
912457-08-0
Multi CAS
Yes
Molecular Formula
C21H21O2P
Molecular Weight
336.400000
Exact Mass
336.127917
InChI
InChI=1S/C21H23O2P/c1-20(2,3)24-22-16-8-4-6-14-10-12-21(18(14)16)13-11-15-7-5-9-17(23-24)19(15)21/h4-9H,10-13H2,1-3H3
InChIKey
LLEZTIOCARPMMS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
99.06
TPSA
18.46
LogP / Solubility
WLOGP
5.83
MLOGP
5.15
XLogP3
4.8
Consensus LogP
5.26
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 912563-45-2 (Meso-3aR,5r,6aS)-tert-butyl 5-hydroxyhexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/912563-45-2.gif)