CAS RN: 1145869-51-7
4′-C-azido-2′-deoxy-2′,2′-difluorocytidine
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.20250911 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1145869-51-7
- Purity/Analytical Methods: >99.0%
1145869-51-7 / 4-amino-1-[(2R,4R,5R)-5-azido-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
4-amino-1-[(2R,4R,5R)-5-azido-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one | 4'-c-azido-2'-deoxy-2',2'-difluorocytidine | CHEMBL484955
Basic Information
CAS
1145869-51-7
Multi CAS
Yes
Molecular Formula
C9H10F2N6O4
Molecular Weight
304.210000
Exact Mass
304.073159
SMILES
C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)(F)F
InChI
InChI=1S/C9H10F2N6O4/c10-9(11)5(19)8(3-18,15-16-13)21-6(9)17-2-1-4(12)14-7(17)20/h1-2,5-6,18-19H,3H2,(H2,12,14,20)/t5-,6-,8-/m1/s1
InChIKey
UXJYMPRXLVIVCK-ATRFCDNQSA-N
Synonyms
4-amino-1-[(2R,4R,5R)-5-azido-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
4'-c-azido-2'-deoxy-2',2'-difluorocytidine
CHEMBL484955
SCHEMBL13523551
UXJYMPRXLVIVCK-ATRFCDNQSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
3
Molar refractivity
62.95
TPSA
159.36
LogP / Solubility
WLOGP
-0.65
MLOGP
-0.56
XLogP3
-0.5
Consensus LogP
-0.57
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-5.04
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
4
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