CAS RN: 947329-82-0
BIS(4-TRIETHOXYSILYLPROPOXY-3-METHOXYPHENYL)
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.20260322 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS947329-82-0
- Purity/Analytical Methods: >99.0%
947329-82-0 / (1E,6E)-1,7-bis[3-methoxy-4-(3-triethoxysilylpropoxy)phenyl]hepta-1,6-diene-3,5-dione
Basic Information
CAS
947329-82-0
Multi CAS
No
Molecular Formula
C39H60O12Si2
Molecular Weight
777.100000
Exact Mass
776.362330
InChI
InChI=1S/C39H60O12Si2/c1-9-46-52(47-10-2,48-11-3)27-15-25-44-36-23-19-32(29-38(36)42-7)17-21-34(40)31-35(41)22-18-33-20-24-37(39(30-33)43-8)45-26-16-28-53(49-12-4,50-13-5)51-14-6/h17-24,29-30H,9-16,25-28,31H2,1-8H3/b21-17+,22-18+
InChIKey
IMZLYOBGUSHCDC-KSTNYAOJSA-N
Computed Properties
Structural Parameters
Heavy atom count
53
Aromatic heavy atom count
12
Fraction Csp3
0.54
Rotatable bonds
30
H-bond acceptors
12
Molar refractivity
209.79
TPSA
126.44
LogP / Solubility
WLOGP
7.59
MLOGP
6.75
XLogP3
7.59
Consensus LogP
7.31
Log S (ESOL)
-7.63
Class (ESOL)
Insoluble
Log S (Ali)
-11.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.07
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
4
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