CAS RN: 87190-79-2
3′-azido-2′,3′-dideoxy-5-methylcytidine
Product Availability
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4 package records4 with current stock1 grade group
- Product code: starshine_CAS87190-79-2
- Purity/Analytical Methods: >99.0%
87190-79-2 / 4-amino-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Basic Information
CAS
87190-79-2
Multi CAS
Yes
Molecular Formula
C10H14N6O3
Molecular Weight
266.260000
Exact Mass
266.112738
InChI
InChI=1S/C10H14N6O3/c1-5-3-16(10(18)13-9(5)11)8-2-6(14-15-12)7(4-17)19-8/h3,6-8,17H,2,4H2,1H3,(H2,11,13,18)/t6-,7+,8+/m0/s1
InChIKey
GZSDAHQGNUAEBC-XLPZGREQSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
2
Molar refractivity
66.19
TPSA
139.13
LogP / Solubility
WLOGP
0.09
MLOGP
0.09
XLogP3
-0.3
Consensus LogP
-0.04
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.83
Class (SILICOS-IT)
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)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 87206-33-5 3H-Oxireno[7,8]naphtho[8a,1-b]furan-3-one, decahydro-4,7,9a-trimethyl-, (1aR,1bR,4R,4aS,7R,7aS,9aR)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87206-33-5.gif)
