CAS RN: 10578-79-7
N(4)-methylcytidine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS10578-79-7
- Purity/Analytical Methods: >99.0%
10578-79-7 / 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(methylamino)pyrimidin-2-one
N(4)-Methylcytidine | DTXSID20147340 | RefChem:160709
Basic Information
CAS
10578-79-7
Multi CAS
Yes
Molecular Formula
C10H15N3O5
Molecular Weight
257.240000
Exact Mass
257.101171
SMILES
CNC1=NC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C10H15N3O5/c1-11-6-2-3-13(10(17)12-6)9-8(16)7(15)5(4-14)18-9/h2-3,5,7-9,14-16H,4H2,1H3,(H,11,12,17)/t5-,7-,8-,9-/m1/s1
InChIKey
LZCNWAXLJWBRJE-ZOQUXTDFSA-N
Synonyms
N(4)-Methylcytidine
DTXSID20147340
RefChem:160709
DTXCID5069831
N4-Methylcytidine
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
4
Molar refractivity
61.05
TPSA
116.84
LogP / Solubility
WLOGP
-2.1
MLOGP
-1.84
XLogP3
-1.7
Consensus LogP
-1.88
Log S (ESOL)
-0.16
Class (ESOL)
Very soluble
Log S (Ali)
-0.15
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.05
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)
-5.78
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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