![CAS 582300-09-2 1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine, tetrahydro-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-, (3aS,8aS)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/582300-09-2.gif)
CAS RN: 582300-09-2
1,3-Dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine, tetrahydro-N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-, (3aS,8aS)-
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: starshine_CAS582300-09-2
- Purity/Analytical Methods: >99.0%
582300-09-2 / N,N,2,2-tetramethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-amine
Basic Information
CAS
582300-09-2
Multi CAS
Yes
Molecular Formula
C33H34NO4P
Molecular Weight
539.600000
Exact Mass
539.222546
InChI
InChI=1S/C33H34NO4P/c1-31(2)35-29-30(36-31)33(27-21-13-7-14-22-27,28-23-15-8-16-24-28)38-39(34(3)4)37-32(29,25-17-9-5-10-18-25)26-19-11-6-12-20-26/h5-24,29-30H,1-4H3/t29-,30-/m0/s1
InChIKey
DRPNADVMTMEWQY-KYJUHHDHSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
24
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
153.93
TPSA
40.16
LogP / Solubility
WLOGP
7.23
MLOGP
6.4
XLogP3
6.4
Consensus LogP
6.68
Log S (ESOL)
-7.87
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.77
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)
-0.88
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
6.5
Customers Also Viewed
-
![CAS 582300-11-6 1-[(3aS,8aS)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]- Piperidine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[(3aS,8aS)-tetrahydro-2,2-diMethyl-4,4,8,8-tetraphenyl-1,3-dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]- Piperidine
- CAS RN: 582300-11-6
- Product Code: starshine_CAS582300-11-6
- Purity/Analytical method: >99.0%
-
4-CHLORO-6-METHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE
- CAS RN: 582300-58-1
- Product Code: SSC-166468
-
-
4-Chloro-5-fluoro-7H-pyrrolo[2,3-d]-pyrimidine
- CAS RN: 582313-57-3
- Product Code: SSC-166474
-
-
Propanedioic acid, 2-(acetylaMino)-2-[(7-chloro-1H-indol-3-yl)Methyl]-, 1,3-diethyl ester
- CAS RN: 582319-05-9
- Product Code: starshine_CAS582319-05-9
- Purity/Analytical method: >99.0%
![CAS 582300-11-6 1-[(3aS,8aS)-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/2023/05/582300-11-6.gif)
![CAS 582313-57-3 4-Chloro-5-fluoro-7H-pyrrolo[2,3-d]-pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/582313-57-3.gif)
![CAS 582319-05-9 Propanedioic acid, 2-(acetylaMino)-2-[(7-chloro-1H-indol-3-yl)Methyl]-, 1,3-diethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/582319-05-9.gif)