![CAS 1227926-70-6 Phosphine oxide, [(2R)-2,3-diMethyl-3-[(triethylsilyl)oxy]butyl]diphenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1227926-70-6.gif)
CAS RN: 1227926-70-6
Phosphine oxide, [(2R)-2,3-diMethyl-3-[(triethylsilyl)oxy]butyl]diphenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250811 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1227926-70-6
- Purity/Analytical Methods: >99.0%
1227926-70-6 / [(3R)-4-diphenylphosphoryl-2,3-dimethylbutan-2-yl]oxy-triethylsilane
Basic Information
CAS
1227926-70-6
Multi CAS
No
Molecular Formula
C24H37O2PSi
Molecular Weight
416.600000
Exact Mass
416.230044
SMILES
CC[Si](CC)(CC)OC(C)(C)[C@@H](C)CP(=O)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C24H37O2PSi/c1-7-28(8-2,9-3)26-24(5,6)21(4)20-27(25,22-16-12-10-13-17-22)23-18-14-11-15-19-23/h10-19,21H,7-9,20H2,1-6H3/t21-/m0/s1
InChIKey
MIKIXTFPADAALY-NRFANRHFSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
10
H-bond acceptors
2
Molar refractivity
126.15
TPSA
26.3
LogP / Solubility
WLOGP
6.44
MLOGP
5.69
XLogP3
6.44
Consensus LogP
6.19
Log S (ESOL)
-6.14
Class (ESOL)
Insoluble
Log S (Ali)
-7.62
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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