![CAS 154862-43-8 3,9-Bis(2,4-dicuMylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/154862-43-8.gif)
CAS RN: 154862-43-8
3,9-Bis(2,4-dicuMylphenoxy)-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251013 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260417 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20251110 | 1kg | Out of stock | Inquiry | |
| Batchno.20250203 | 2.5kg | In stock | Shanghai | Inquiry |
| Batchno.20250726 | 25g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260426 | 500g | In stock | Shandong | Inquiry |
| Batchno.20260624 | 500g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: starshine_CAS154862-43-8
- Purity/Analytical Methods: >99.0%
154862-43-8 / 3,9-bis[2,4-bis(2-phenylpropan-2-yl)phenoxy]-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecane
Basic Information
CAS
154862-43-8
Multi CAS
No
Molecular Formula
C53H58O6P2
Molecular Weight
853.000000
Exact Mass
852.370864
SMILES
CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2)OP3OCC4(CO3)COP(OC4)OC5=C(C=C(C=C5)C(C)(C)C6=CC=CC=C6)C(C)(C)C7=CC=CC=C7)C(C)(C)C8=CC=CC=C8
InChI
InChI=1S/C53H58O6P2/c1-49(2,39-21-13-9-14-22-39)43-29-31-47(45(33-43)51(5,6)41-25-17-11-18-26-41)58-60-54-35-53(36-55-60)37-56-61(57-38-53)59-48-32-30-44(50(3,4)40-23-15-10-16-24-40)34-46(48)52(7,8)42-27-19-12-20-28-42/h9-34H,35-38H2,1-8H3
InChIKey
WBWXVCMXGYSMQA-UHFFFAOYSA-N
Physical Properties
Physical Description
Dry Powder, Pellets or Large Crystals; Liquid; Dry Powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
61
Aromatic heavy atom count
36
Fraction Csp3
0.32
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
248.5
TPSA
55.38
LogP / Solubility
WLOGP
13.98
MLOGP
12.38
XLogP3
14.4
Consensus LogP
13.59
Log S (ESOL)
-13.58
Class (ESOL)
Insoluble
Log S (Ali)
-16.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.25
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)
2
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
7.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H413: May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
H315 (55.1%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (55.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (55.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
H413 (44.9%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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