![CAS 213843-95-9 1-[(3aR,8aR)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]- Piperidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213843-95-9.gif)
CAS RN: 213843-95-9
1-[(3aR,8aR)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]- Piperidine
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260619 | 50mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS213843-95-9
- Purity/Analytical Methods: >99.0%
213843-95-9 / 1-[(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]piperidine
Basic Information
CAS
213843-95-9
Multi CAS
No
Molecular Formula
C36H38NO4P
Molecular Weight
579.700000
Exact Mass
579.253846
SMILES
CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N5CCCCC5)(C6=CC=CC=C6)C7=CC=CC=C7)C
InChI
InChI=1S/C36H38NO4P/c1-34(2)38-32-33(39-34)36(30-22-12-5-13-23-30,31-24-14-6-15-25-31)41-42(37-26-16-7-17-27-37)40-35(32,28-18-8-3-9-19-28)29-20-10-4-11-21-29/h3-6,8-15,18-25,32-33H,7,16-17,26-27H2,1-2H3/t32-,33-/m1/s1
InChIKey
YNJHXVYWHUZOAG-CZNDPXEESA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Aromatic heavy atom count
24
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
165.67
TPSA
40.16
LogP / Solubility
WLOGP
8.15
MLOGP
7.22
XLogP3
7.2
Consensus LogP
7.52
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-10.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.8
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.47
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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![CAS 213896-64-1 [1,2,4]Triazolo[1,5-c]pyrimidin-5-amine, 7-chloro-2-(2-furanyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/213896-64-1.gif)
