CAS RN: 7084-29-9
3′-DEOXY-5-METHYLURIDINE
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS7084-29-9
- Purity/Analytical Methods: >99.0%
7084-29-9 / 1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Basic Information
CAS
7084-29-9
Multi CAS
Yes
Molecular Formula
C10H14N2O5
Molecular Weight
242.230000
Exact Mass
242.090272
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-8(5)15)9-7(14)2-6(4-13)17-9/h3,6-7,9,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,9+/m0/s1
InChIKey
UYUWZFRYAAHPDN-LKEWCRSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
57.68
TPSA
104.55
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.33
XLogP3
-1.5
Consensus LogP
-1.45
Log S (ESOL)
-0.52
Class (ESOL)
Very soluble
Log S (Ali)
-0.45
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.22
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)
-5.27
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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