![CAS 1422371-27-4 (3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1422371-27-4.gif)
CAS RN: 1422371-27-4
(3aS,8aS)-(+)-4,4,8,8-Tetrakis(3,5-di-i-propylphenyl)tetrahydro-2,2-dimethyl-6-phenyl-1,3-dioxolo[4,5-e]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-053015
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: >98%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | >98% | 0 Out of Stock | Beijing | Inquiry |
1422371-27-4 / (3aS,8aS)-4,4,8,8-tetrakis[3,5-di(propan-2-yl)phenyl]-2,2-dimethyl-6-phenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepine
Basic Information
CAS
1422371-27-4
Multi CAS
No
Molecular Formula
C61H81O4P
Molecular Weight
909.300000
Exact Mass
908.587248
SMILES
CC(C)C1=CC(=CC(=C1)C2([C@@H]3[C@@H](C(OP(O2)C4=CC=CC=C4)(C5=CC(=CC(=C5)C(C)C)C(C)C)C6=CC(=CC(=C6)C(C)C)C(C)C)OC(O3)(C)C)C7=CC(=CC(=C7)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C61H81O4P/c1-36(2)44-24-45(37(3)4)29-52(28-44)60(53-30-46(38(5)6)25-47(31-53)39(7)8)57-58(63-59(17,18)62-57)61(65-66(64-60)56-22-20-19-21-23-56,54-32-48(40(9)10)26-49(33-54)41(11)12)55-34-50(42(13)14)27-51(35-55)43(15)16/h19-43,57-58H,1-18H3/t57-,58-/m0/s1
InChIKey
AYBKPJJNIOLFCE-YQOHNZFASA-N
Computed Properties
Structural Parameters
Heavy atom count
66
Aromatic heavy atom count
30
Fraction Csp3
0.51
Rotatable bonds
13
H-bond acceptors
4
Molar refractivity
279.03
TPSA
36.92
LogP / Solubility
WLOGP
17.07
MLOGP
15.1
XLogP3
16.7
Consensus LogP
16.29
Log S (ESOL)
-15.71
Class (ESOL)
Insoluble
Log S (Ali)
-19.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.29
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.85
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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