![CAS 486429-96-3 Phosphine, 1,1′-[(16aS)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecin-1,16-diyl]bis[1,1-diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/486429-96-3.gif)
CAS RN: 486429-96-3
Phosphine, 1,1′-[(16aS)-6,7,8,9,10,11-hexahydrodibenzo[b,d][1,6]dioxacyclododecin-1,16-diyl]bis[1,1-diphenyl-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250922 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250930 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250818 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250616 | 250mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250921 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS486429-96-3
- Purity/Analytical Methods: >99.0%
486429-96-3 / (20-diphenylphosphanyl-8,15-dioxatricyclo[14.4.0.02,7]icosa-1(16),2(7),3,5,17,19-hexaen-3-yl)-diphenylphosphane
Basic Information
CAS
486429-96-3
Multi CAS
No
Molecular Formula
C42H38O2P2
Molecular Weight
636.700000
Exact Mass
636.234704
InChI
InChI=1S/C42H38O2P2/c1-2-16-32-44-38-28-18-30-40(46(35-23-11-5-12-24-35)36-25-13-6-14-26-36)42(38)41-37(43-31-15-1)27-17-29-39(41)45(33-19-7-3-8-20-33)34-21-9-4-10-22-34/h3-14,17-30H,1-2,15-16,31-32H2
InChIKey
UENGBNLSVKNPJN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
36
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
2
Molar refractivity
198.75
TPSA
18.46
LogP / Solubility
WLOGP
8.2
MLOGP
7.27
XLogP3
10.1
Consensus LogP
8.52
Log S (ESOL)
-9.14
Class (ESOL)
Insoluble
Log S (Ali)
-10.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
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)
-0.78
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
7.5
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