CAS RN: 39967-60-7

2′-DEOXYPSEUDOURIDINE

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 1mg / 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS39967-60-7
  • Purity/Analytical Methods: >99.0%
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39967-60-7 / 5-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione

Standard CAS: 39967-60-7 Multi CAS: Yes

Basic Information

CAS
39967-60-7
Multi CAS
Yes
Molecular Formula
C9H12N2O5
Molecular Weight
228.200000
Exact Mass
228.074621
InChI
InChI=1S/C9H12N2O5/c12-3-7-5(13)1-6(16-7)4-2-10-9(15)11-8(4)14/h2,5-7,12-13H,1,3H2,(H2,10,11,14,15)/t5-,6+,7+/m0/s1
InChIKey
ASOJEESZSWWNQK-RRKCRQDMSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
4
Molar refractivity
53.01
TPSA
115.41

LogP / Solubility

WLOGP
-1.75
MLOGP
-1.54
XLogP3
-1.8
Consensus LogP
-1.7
Log S (ESOL)
-0.3
Class (ESOL)
Very soluble
Log S (Ali)
-0.17
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.07
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)
-5.36

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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