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CAS 105024-66-6 SILAFLUOFEN molecular structure lightbox
CAS RN: 105024-66-6

SILAFLUOFEN

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Batch No.PackageAvailabilityInquiry
Batchno.20251020 100mg In stock Inquiry
  • Product code: starshine_CAS105024-66-6
  • Purity/Analytical Methods: >99.0%
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105024-66-6 / (4-ethoxyphenyl)-[3-(4-fluoro-3-phenoxyphenyl)propyl]-dimethylsilane

Silafluofen | F4SX221ILG | DTXSID4057924

Standard CAS: 105024-66-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105024-66-6
Multi CAS
No
Molecular Formula
C25H29FO2Si
Molecular Weight
408.600000
Exact Mass
408.192085
SMILES
CCOC1=CC=C(C=C1)[Si](C)(C)CCCC2=CC(=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C25H29FO2Si/c1-4-27-21-13-15-23(16-14-21)29(2,3)18-8-9-20-12-17-24(26)25(19-20)28-22-10-6-5-7-11-22/h5-7,10-17,19H,4,8-9,18H2,1-3H3
InChIKey
HPYNBECUCCGGPA-UHFFFAOYSA-N
Synonyms
Silafluofen F4SX221ILG DTXSID4057924 CHEBI:39393 (4-Ethoxyphenyl)(3-(4-fluoro-3-phenoxyphenyl)propyl)dimethylsilane

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
18
Fraction Csp3
0.28
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
120.77
TPSA
18.46

LogP / Solubility

WLOGP
6.56
MLOGP
5.8
XLogP3
6.56
Consensus LogP
6.31
Log S (ESOL)
-6.37
Class (ESOL)
Insoluble
Log S (Ali)
-7.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.84
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)
-0.55

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
2.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360F ***: May damage fertility [Danger Reproductive toxicity] H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P273, P280, P318, P391, P405, and P501

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