CAS RN: 2491653-62-2
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251125 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2491653-62-2
- Purity/Analytical Methods: >99.0%
2491653-62-2 / [5-[6-bis[3,5-bis(trimethylsilyl)phenyl]phosphanyl-2,3-dihydro-1,4-benzodioxin-5-yl]-2,3-dihydro-1,4-benzodioxin-6-yl]-bis[3,5-bis(trimethylsilyl)phenyl]phosphane
Basic Information
CAS
2491653-62-2
Multi CAS
No
Molecular Formula
C64H96O4P2Si8
Molecular Weight
1216.100000
Exact Mass
1214.493798
SMILES
C[Si](C)(C)C1=CC(=CC(=C1)P(C2=C(C3=C(C=C2)OCCO3)C4=C(C=CC5=C4OCCO5)P(C6=CC(=CC(=C6)[Si](C)(C)C)[Si](C)(C)C)C7=CC(=CC(=C7)[Si](C)(C)C)[Si](C)(C)C)C8=CC(=CC(=C8)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C
InChI
InChI=1S/C64H96O4P2Si8/c1-71(2,3)49-33-45(34-50(41-49)72(4,5)6)69(46-35-51(73(7,8)9)42-52(36-46)74(10,11)12)59-27-25-57-63(67-31-29-65-57)61(59)62-60(28-26-58-64(62)68-32-30-66-58)70(47-37-53(75(13,14)15)43-54(38-47)76(16,17)18)48-39-55(77(19,20)21)44-56(40-48)78(22,23)24/h25-28,33-44H,29-32H2,1-24H3
InChIKey
SKIVRCGPQONSPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Aromatic heavy atom count
36
Fraction Csp3
0.44
Rotatable bonds
15
H-bond acceptors
4
Molar refractivity
375.11
TPSA
36.92
LogP / Solubility
WLOGP
10.77
MLOGP
9.6
XLogP3
10.77
Consensus LogP
10.38
Log S (ESOL)
-13.52
Class (ESOL)
Insoluble
Log S (Ali)
-17.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.31
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)
-2.49
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
6.5
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