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CAS 369656-76-8 2′-DEOXYURIDINE-2-13C,1,3-15N2 molecular structure lightbox
CAS RN: 369656-76-8

2′-DEOXYURIDINE-2-13C,1,3-15N2

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3 package records2 with current stock2 grade groups
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Batchno.20260701 1mg Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS369656-76-8
  • Purity/Analytical Methods: >99.0%
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369656-76-8 / 1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

Standard CAS: 369656-76-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
369656-76-8
Multi CAS
Yes
Molecular Formula
C9H12N2O5
Molecular Weight
228.200000
Exact Mass
228.074621
InChI
InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1/i9+1,10+1,11+1
InChIKey
MXHRCPNRJAMMIM-XPWHOUBVSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
52.94
TPSA
104.55

LogP / Solubility

WLOGP
-1.82
MLOGP
-1.6
XLogP3
-1.6
Consensus LogP
-1.67
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.12
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.13
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)
-5.41

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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