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CAS 55520-67-7 5-vinyl-2′-deoxyuridine molecular structure lightbox
CAS RN: 55520-67-7

5-vinyl-2′-deoxyuridine

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260302 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS55520-67-7
  • Purity/Analytical Methods: >99.0%
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55520-67-7 / 5-ethenyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 55520-67-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
55520-67-7
Multi CAS
Yes
Molecular Formula
C11H14N2O5
Molecular Weight
254.240000
Exact Mass
254.090272
InChI
InChI=1S/C11H14N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h2,4,7-9,14-15H,1,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1
InChIKey
YAAQOXBNCODRSI-DJLDLDEBSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
3
H-bond acceptors
6
H-bond donors
3
Molar refractivity
63.03
TPSA
104.55

LogP / Solubility

WLOGP
-1.18
MLOGP
-1.03
XLogP3
-0.8
Consensus LogP
-1
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.79
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very soluble

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
No
Log Kp (skin permeation)
-5.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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