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CAS 17242-85-2 O,O’-BIS(TRIMETHYLSILYL)-5-FLUOROURACIL molecular structure lightbox
CAS RN: 17242-85-2

O,O’-BIS(TRIMETHYLSILYL)-5-FLUOROURACIL

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17242-85-2
  • Purity/Analytical Methods: >99.0%
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17242-85-2 / (5-fluoro-2-trimethylsilyloxypyrimidin-4-yl)oxy-trimethylsilane

Standard CAS: 17242-85-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17242-85-2
Multi CAS
No
Molecular Formula
C10H19FN2O2Si2
Molecular Weight
274.440000
Exact Mass
274.096909
SMILES
C[Si](C)(C)OC1=NC(=NC=C1F)O[Si](C)(C)C
InChI
InChI=1S/C10H19FN2O2Si2/c1-16(2,3)14-9-8(11)7-12-10(13-9)15-17(4,5)6/h7H,1-6H3
InChIKey
MPVQFVDWJDULDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
69.94
TPSA
44.24

LogP / Solubility

WLOGP
3.04
MLOGP
2.69
XLogP3
3.04
Consensus LogP
2.92
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H341 (100%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P316, P317, P318, P321, P330, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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