CAS RN: 478182-28-4
4′-Azidocytidine
Product Availability
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4 package records2 with current stock1 grade group
- Product code: starshine_CAS478182-28-4
- Purity/Analytical Methods: >99.0%
478182-28-4 / 4-amino-1-[(2R,3R,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
478182-28-4
Multi CAS
Yes
Molecular Formula
C9H12N6O5
Molecular Weight
284.230000
Exact Mass
284.086918
InChI
InChI=1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6+,7-,9-/m1/s1
InChIKey
ODLGMSQBFONGNG-JVZYCSMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
4
Molar refractivity
64.01
TPSA
179.59
LogP / Solubility
WLOGP
-1.92
MLOGP
-1.68
XLogP3
-1.8
Consensus LogP
-1.8
Log S (ESOL)
-0.41
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.27
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)
-5.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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