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CAS 10457-14-4 2,4-BIS-TRIMETHYLSILANYLOXY-PYRIMIDINE molecular structure lightbox
CAS RN: 10457-14-4

2,4-BIS-TRIMETHYLSILANYLOXY-PYRIMIDINE

  • Product code: SSC-006335
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 10457-14-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Beijing Inquiry

10457-14-4 / trimethyl-(2-trimethylsilyloxypyrimidin-4-yl)oxysilane

2,4-Bis((trimethylsilyl)oxy)pyrimidine | Bis(trimethylsilyl)uracil | 2,4-Bis(trimethylsiloxy)pyrimidine

Standard CAS: 10457-14-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10457-14-4
Multi CAS
Yes
Molecular Formula
C10H20N2O2Si2
Molecular Weight
256.450000
Exact Mass
256.106331
SMILES
C[Si](C)(C)OC1=NC(=NC=C1)O[Si](C)(C)C
InChI
InChI=1S/C10H20N2O2Si2/c1-15(2,3)13-9-7-8-11-10(12-9)14-16(4,5)6/h7-8H,1-6H3
InChIKey
FSBNTQRWSOTNEW-UHFFFAOYSA-N
Synonyms
2,4-Bis((trimethylsilyl)oxy)pyrimidine Bis(trimethylsilyl)uracil 2,4-Bis(trimethylsiloxy)pyrimidine 2,4-BIS[(TRIMETHYLSILYL)OXY]PYRIMIDINE Uracil, diTMS

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
69.98
TPSA
44.24

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-3.27
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.22
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)
-2.22

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

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