![CAS 913706-72-6 1-[(3aR,8aR)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-Pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/913706-72-6.gif)
CAS RN: 913706-72-6
1-[(3aR,8aR)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]-Pyrrolidine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250315 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS913706-72-6
- Purity/Analytical Methods: >99.0%
913706-72-6 / 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]pyrrolidine
Basic Information
CAS
913706-72-6
Multi CAS
Yes
Molecular Formula
C35H36NO4P
Molecular Weight
565.600000
Exact Mass
565.238196
InChI
InChI=1S/C35H36NO4P/c1-33(2)37-31-32(38-33)35(29-21-11-5-12-22-29,30-23-13-6-14-24-30)40-41(36-25-15-16-26-36)39-34(31,27-17-7-3-8-18-27)28-19-9-4-10-20-28/h3-14,17-24,31-32H,15-16,25-26H2,1-2H3/t31-,32-/m1/s1
InChIKey
FRRMWAUDZVKRJT-ROJLCIKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
24
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
161.05
TPSA
40.16
LogP / Solubility
WLOGP
7.76
MLOGP
6.88
XLogP3
6.9
Consensus LogP
7.18
Log S (ESOL)
-8.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.38
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)
-0.66
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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