![CAS 1569807-27-7 (R)-4-oxide-2,6-bis[4-(1,1-dimethylethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1569807-27-7.gif)
CAS RN: 1569807-27-7
(R)-4-oxide-2,6-bis[4-(1,1-dimethylethyl)phenyl]-8,9,10,11,12,13,14,15-octahydro-4-hydroxydinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-066206
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1569807-27-7 / 10,16-bis(4-tert-butylphenyl)-13-hydroxy-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(23),2,8,10,15,17-hexaene 13-oxide
Basic Information
CAS
1569807-27-7
Multi CAS
No
Molecular Formula
C40H45O4P
Molecular Weight
620.800000
Exact Mass
620.305547
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C3C(=C4CCCCC4=C2)C5=C6CCCCC6=CC(=C5OP(=O)(O3)O)C7=CC=C(C=C7)C(C)(C)C
InChI
InChI=1S/C40H45O4P/c1-39(2,3)29-19-15-25(16-20-29)33-23-27-11-7-9-13-31(27)35-36-32-14-10-8-12-28(32)24-34(38(36)44-45(41,42)43-37(33)35)26-17-21-30(22-18-26)40(4,5)6/h15-24H,7-14H2,1-6H3,(H,41,42)
InChIKey
USYXGKDLBZQNNB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
45
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
184.52
TPSA
55.76
LogP / Solubility
WLOGP
10.91
MLOGP
9.65
XLogP3
11.7
Consensus LogP
10.75
Log S (ESOL)
-10.83
Class (ESOL)
Insoluble
Log S (Ali)
-12.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.99
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)
1.24
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
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