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CAS 20594-00-7 3′-(O-METHYL)CYTIDINE molecular structure lightbox
CAS RN: 20594-00-7

3′-(O-METHYL)CYTIDINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS20594-00-7
  • Purity/Analytical Methods: >99.0%
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20594-00-7 / 4-amino-1-[(2R,3R,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one

Standard CAS: 20594-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20594-00-7
Multi CAS
No
Molecular Formula
C10H15N3O5
Molecular Weight
257.240000
Exact Mass
257.101171
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]1O)N2C=CC(=NC2=O)N)CO
InChI
InChI=1S/C10H15N3O5/c1-17-8-5(4-14)18-9(7(8)15)13-3-2-6(11)12-10(13)16/h2-3,5,7-9,14-15H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,9-/m1/s1
InChIKey
RZJCFLSPBDUNDH-ZOQUXTDFSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
60.71
TPSA
119.83

LogP / Solubility

WLOGP
-1.91
MLOGP
-1.67
XLogP3
-2.1
Consensus LogP
-1.89
Log S (ESOL)
-0.28
Class (ESOL)
Very soluble
Log S (Ali)
-0.29
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.11
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)
-5.64

Drug-likeness / Medicinal Chemistry

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

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