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CAS 55003-25-3 4-Thiouridine 2′,3′,5′-Triacetate molecular structure lightbox
CAS RN: 55003-25-3

4-Thiouridine 2′,3′,5′-Triacetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS55003-25-3
  • Purity/Analytical Methods: >99.0%
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55003-25-3 / [3,4-diacetyloxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl acetate

Standard CAS: 55003-25-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55003-25-3
Multi CAS
Yes
Molecular Formula
C15H18N2O8S
Molecular Weight
386.400000
Exact Mass
386.078387
InChI
InChI=1S/C15H18N2O8S/c1-7(18)22-6-10-12(23-8(2)19)13(24-9(3)20)14(25-10)17-5-4-11(26)16-15(17)21/h4-5,10,12-14H,6H2,1-3H3,(H,16,21,26)/t10-,12-,13-,14-/m1/s1
InChIKey
VOSWRYRYGCAHQU-FMKGYKFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
5
H-bond acceptors
10
H-bond donors
1
Molar refractivity
87.54
TPSA
125.92

LogP / Solubility

WLOGP
0.23
MLOGP
0.22
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
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)
-4.91

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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