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CAS 2140-69-4 3-METHYL URIDINE molecular structure lightbox
CAS RN: 2140-69-4

3-METHYL URIDINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250610 5mg / 25mg / 100mg / 250mg / 1g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS2140-69-4
  • Purity/Analytical Methods: >99.0%
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2140-69-4 / 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylpyrimidine-2,4-dione

Standard CAS: 2140-69-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2140-69-4
Multi CAS
No
Molecular Formula
C10H14N2O6
Molecular Weight
258.230000
Exact Mass
258.085186
SMILES
CN1C(=O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H14N2O6/c1-11-6(14)2-3-12(10(11)17)9-8(16)7(15)5(4-13)18-9/h2-3,5,7-9,13,15-16H,4H2,1H3/t5-,7-,8-,9-/m1/s1
InChIKey
UTQUILVPBZEHTK-ZOQUXTDFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
3
Molar refractivity
58.95
TPSA
113.92

LogP / Solubility

WLOGP
-2.84
MLOGP
-2.49
XLogP3
-1.8
Consensus LogP
-2.38
Log S (ESOL)
0.23
Class (ESOL)
Highly soluble
Log S (Ali)
0.37
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.78
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)
-6.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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