CAS RN: 20724-73-6
2′-C-Methylcytidine
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6 package records6 with current stock3 grade groups
- Product code: starshine_CAS20724-73-6
- Purity/Analytical Methods: >99.0%
20724-73-6 / 4-amino-1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
20724-73-6
Multi CAS
No
Molecular Formula
C10H15N3O5
Molecular Weight
257.240000
Exact Mass
257.101171
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1
InChIKey
PPUDLEUZKVJXSZ-VPCXQMTMSA-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
4
Molar refractivity
60.54
TPSA
130.83
LogP / Solubility
WLOGP
-2.17
MLOGP
-1.91
XLogP3
-2.4
Consensus LogP
-2.16
Log S (ESOL)
-0.18
Class (ESOL)
Very soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.23
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)
-5.83
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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