![CAS 666847-54-7 2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666847-54-7.gif)
CAS RN: 666847-54-7
2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine
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.20250103 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS666847-54-7
- Purity/Analytical Methods: >99.0%
666847-54-7 / N-[3-[1-[(2R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide
Basic Information
CAS
666847-54-7
Multi CAS
No
Molecular Formula
C20F3H28N3O6Si
Molecular Weight
491.500000
Exact Mass
491.169947
InChI
InChI=1S/C20H28F3N3O6Si/c1-19(2,3)33(4,5)31-11-14-13(27)9-15(32-14)26-10-12(16(28)25-18(26)30)7-6-8-24-17(29)20(21,22)23/h10,13-15,27H,8-9,11H2,1-5H3,(H,24,29)(H,25,28,30)/t13-,14+,15+/m0/s1
InChIKey
GQHDZQALXUNICK-RRFJBIMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
114.95
TPSA
122.65
LogP / Solubility
WLOGP
1.24
MLOGP
1.12
XLogP3
1.24
Consensus LogP
1.2
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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