CAS RN: 922508-26-7

2′-O-tert-Butyldimethylsilyl-5-methyluridine

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Batchno.20250104 1g Out of stock 15 business days Inquiry
  • Product code: LINO929951
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922508-26-7 / 1-[(2R,3R,4R,5R)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione

Standard CAS: 922508-26-7 Multi CAS: Yes

Basic Information

CAS
922508-26-7
Multi CAS
Yes
Molecular Formula
C16H28N2O6Si
Molecular Weight
372.490000
Exact Mass
372.171663
InChI
InChI=1S/C16H28N2O6Si/c1-9-7-18(15(22)17-13(9)21)14-12(11(20)10(8-19)23-14)24-25(5,6)16(2,3)4/h7,10-12,14,19-20H,8H2,1-6H3,(H,17,21,22)/t10-,11-,12-,14-/m1/s1
InChIKey
PWAAFDSCYLYFMA-HKUMRIAESA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.75
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
95.13
TPSA
113.78

LogP / Solubility

WLOGP
0.49
MLOGP
0.45
XLogP3
0.49
Consensus LogP
0.48
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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