![CAS 1260100-70-6 2-{3-cyano-4-[3-(5,5-dimethyl-3-{2-[4-(2,2,3,3,11,11,12,12-octamethyl-4,10-dioxa-7-aza-3,11-disilatridecan-7-yl)phenyl]ethenyl}cyclohex-2-en-1-ylidene)prop-1-en-1-yl]-5-phenyl-5-(trifluoromethyl)-2,5-dihydrofuran-2-ylidene}propanedinitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260100-70-6.gif)
CAS RN: 1260100-70-6
2-{3-cyano-4-[3-(5,5-dimethyl-3-{2-[4-(2,2,3,3,11,11,12,12-octamethyl-4,10-dioxa-7-aza-3,11-disilatridecan-7-yl)phenyl]ethenyl}cyclohex-2-en-1-ylidene)prop-1-en-1-yl]-5-phenyl-5-(trifluoromethyl)-2,5-dihydrofuran-2-ylidene}propanedinitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250825 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1260100-70-6
- Purity/Analytical Methods: >99.0%
1260100-70-6 / 2-[4-[3-[3-[2-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]ethenyl]-5,5-dimethylcyclohex-2-en-1-ylidene]prop-1-enyl]-3-cyano-5-phenyl-5-(trifluoromethyl)furan-2-ylidene]propanedinitrile
Basic Information
CAS
1260100-70-6
Multi CAS
No
Molecular Formula
C50H63F3N4O3Si2
Molecular Weight
881.200000
Exact Mass
880.439079
SMILES
CC1(CC(=CC(=CC=CC2=C(C(=C(C#N)C#N)OC2(C3=CC=CC=C3)C(F)(F)F)C#N)C1)C=CC4=CC=C(C=C4)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C50H63F3N4O3Si2/c1-46(2,3)61(9,10)58-29-27-57(28-30-59-62(11,12)47(4,5)6)42-25-23-37(24-26-42)21-22-39-31-38(32-48(7,8)33-39)17-16-20-44-43(36-56)45(40(34-54)35-55)60-49(44,50(51,52)53)41-18-14-13-15-19-41/h13-26,31H,27-30,32-33H2,1-12H3/b20-16+,22-21+,38-17-
InChIKey
WNNRCNHYPMRFAX-MLJUPDGJSA-N
Computed Properties
Structural Parameters
Heavy atom count
62
Aromatic heavy atom count
12
Fraction Csp3
0.46
Rotatable bonds
14
H-bond acceptors
7
Molar refractivity
248.46
TPSA
102.3
LogP / Solubility
WLOGP
13.39
MLOGP
11.86
XLogP3
13.39
Consensus LogP
12.88
Log S (ESOL)
-12.96
Class (ESOL)
Insoluble
Log S (Ali)
-16.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.18
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.41
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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