CAS RN: 1282040-14-5
3′-Azido-3′-deoxy-5-methylcytidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINA888563
1282040-14-5 / 4-amino-1-[(2R,3R,4S,5S)-4-azido-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
Basic Information
CAS
1282040-14-5
Multi CAS
No
Molecular Formula
C10H14N6O4
Molecular Weight
282.260000
Exact Mass
282.107653
SMILES
CC1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)N=[N+]=[N-])O
InChI
InChI=1S/C10H14N6O4/c1-4-2-16(10(19)13-8(4)11)9-7(18)6(14-15-12)5(3-17)20-9/h2,5-7,9,17-18H,3H2,1H3,(H2,11,13,19)/t5-,6-,7-,9-/m1/s1
InChIKey
HQIDXEHGLJUNPT-JXOAFFINSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
67.58
TPSA
159.36
LogP / Solubility
WLOGP
-0.94
MLOGP
-0.81
XLogP3
-1
Consensus LogP
-0.92
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.08
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)
-5.11
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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