![CAS 200636-54-0 Phosphine oxide, [(2Z)-2-[(3R,4R,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-4-[3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]propoxy]-2-Methylenecyclohexylidene]ethyl]diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/200636-54-0.gif)
CAS RN: 200636-54-0
Phosphine oxide, [(2Z)-2-[(3R,4R,5R)-3,5-bis[[(1,1-diMethylethyl)diMethylsilyl]oxy]-4-[3-[[(1,1-diMethylethyl)diMethylsilyl]oxy]propoxy]-2-Methylenecyclohexylidene]ethyl]diphenyl-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250225 | 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS200636-54-0
- Purity/Analytical Methods: >99.0%
200636-54-0 / 3-[2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4-(2-diphenylphosphorylethylidene)-3-methylidenecyclohexyl]oxypropoxy-tert-butyl-dimethylsilane
Basic Information
CAS
200636-54-0
Multi CAS
No
Molecular Formula
C42H71O5PSi3
Molecular Weight
771.200000
Exact Mass
770.434692
SMILES
CC(C)(C)[Si](C)(C)OCCCOC1C(CC(=CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=C)C1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C42H71O5PSi3/c1-33-34(28-31-48(43,35-24-19-17-20-25-35)36-26-21-18-22-27-36)32-37(46-50(13,14)41(5,6)7)39(38(33)47-51(15,16)42(8,9)10)44-29-23-30-45-49(11,12)40(2,3)4/h17-22,24-28,37-39H,1,23,29-32H2,2-16H3/b34-28-/t37-,38-,39-/m1/s1
InChIKey
DCCWLTTWSBJXFK-WKJGISSOSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Aromatic heavy atom count
12
Fraction Csp3
0.62
Rotatable bonds
14
H-bond acceptors
5
Molar refractivity
228.11
TPSA
53.99
LogP / Solubility
WLOGP
11.46
MLOGP
10.16
XLogP3
11.46
Consensus LogP
11.03
Log S (ESOL)
-11.09
Class (ESOL)
Insoluble
Log S (Ali)
-14.16
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.87
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)
0.72
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
5.5
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