![CAS 1210427-80-7 3′,5′-Bis-O-[(1,1-diMethylethyl)diMethylsilyl]-α-[[(1,1-diMethylethyl)diMethylsilyl]oxy]thyMidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1210427-80-7.gif)
CAS RN: 1210427-80-7
3′,5′-Bis-O-[(1,1-diMethylethyl)diMethylsilyl]-α-[[(1,1-diMethylethyl)diMethylsilyl]oxy]thyMidine
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS1210427-80-7
- Purity/Analytical Methods: >99.0%
1210427-80-7 / 1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidine-2,4-dione
3',5'-Bis-O-[(1,1-dimethylethyl)dimethylsilyl]-a-[[(1,1-dimethylethyl)dimethylsilyl]oxy]thymidine
Basic Information
CAS
1210427-80-7
Multi CAS
Yes
Molecular Formula
C28H56N2O6Si3
Molecular Weight
601.000000
Exact Mass
600.344617
SMILES
CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H56N2O6Si3/c1-26(2,3)37(10,11)33-18-20-17-30(25(32)29-24(20)31)23-16-21(36-39(14,15)28(7,8)9)22(35-23)19-34-38(12,13)27(4,5)6/h17,21-23H,16,18-19H2,1-15H3,(H,29,31,32)
InChIKey
VWNYSLBEKMNLIZ-UHFFFAOYSA-N
Synonyms
3',5'-Bis-O-[(1,1-dimethylethyl)dimethylsilyl]-a-[[(1,1-dimethylethyl)dimethylsilyl]oxy]thymidine
Computed Properties
Structural Parameters
Heavy atom count
39
Aromatic heavy atom count
6
Fraction Csp3
0.86
Rotatable bonds
9
H-bond acceptors
7
H-bond donors
1
Molar refractivity
167.05
TPSA
91.78
LogP / Solubility
WLOGP
6.76
MLOGP
6
XLogP3
6.76
Consensus LogP
6.51
Log S (ESOL)
-7.34
Class (ESOL)
Insoluble
Log S (Ali)
-9.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.26
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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