CAS RN: 14365-63-0

Uridine, 4′,5′-didehydro-5′-deoxy-

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  • Product code: starshine_CAS14365-63-0
  • Purity/Analytical Methods: >99.0%
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14365-63-0 / 1-[(2R,3R,4S)-3,4-dihydroxy-5-methylideneoxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 14365-63-0 Multi CAS: No

Basic Information

CAS
14365-63-0
Multi CAS
No
Molecular Formula
C9H10N2O5
Molecular Weight
226.190000
Exact Mass
226.058971
SMILES
C=C1[C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C9H10N2O5/c1-4-6(13)7(14)8(16-4)11-3-2-5(12)10-9(11)15/h2-3,6-8,13-14H,1H2,(H,10,12,15)/t6-,7-,8-/m1/s1
InChIKey
WMIBCMZGMYGWHB-BWZBUEFSSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
3
Molar refractivity
52.6
TPSA
104.55

LogP / Solubility

WLOGP
-1.7
MLOGP
-1.49
XLogP3
-1.7
Consensus LogP
-1.63
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.19
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly 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)
-5.31

Drug-likeness / Medicinal Chemistry

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

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