CAS RN: 1445379-74-7
2′-Deoxy-4′-ethyl-2′-fluorocytidine
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.20260201 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1445379-74-7
- Purity/Analytical Methods: >99.0%
1445379-74-7 / 4-amino-1-[(2R,3R,4R,5R)-5-ethyl-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Basic Information
CAS
1445379-74-7
Multi CAS
No
Molecular Formula
C11H16FN3O4
Molecular Weight
273.260000
Exact Mass
273.112484
SMILES
CC[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)F)O)CO
InChI
InChI=1S/C11H16FN3O4/c1-2-11(5-16)8(17)7(12)9(19-11)15-4-3-6(13)14-10(15)18/h3-4,7-9,16-17H,2,5H2,1H3,(H2,13,14,18)/t7-,8+,9-,11-/m1/s1
InChIKey
WRHBWEWELIFEKF-PKIKSRDPSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
3
Molar refractivity
64.04
TPSA
110.6
LogP / Solubility
WLOGP
-0.81
MLOGP
-0.7
XLogP3
-0.9
Consensus LogP
-0.8
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-4.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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