![CAS 1946820-96-7 2,4(1H,3H)-Pyrimidinedione, 1-[(2S)-2-deoxy-2-fluoro-2-methyl-β-L-erythro-pentofuranosyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1946820-96-7.gif)
CAS RN: 1946820-96-7
2,4(1H,3H)-Pyrimidinedione, 1-[(2S)-2-deoxy-2-fluoro-2-methyl-β-L-erythro-pentofuranosyl]-
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.20251013 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1946820-96-7
- Purity/Analytical Methods: >99.0%
1946820-96-7 / 1-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
Basic Information
CAS
1946820-96-7
Multi CAS
No
Molecular Formula
C10H13FN2O5
Molecular Weight
260.220000
Exact Mass
260.080850
SMILES
C[C@@]1([C@H]([C@@H](O[C@@H]1N2C=CC(=O)NC2=O)CO)O)F
InChI
InChI=1S/C10H13FN2O5/c1-10(11)7(16)5(4-14)18-8(10)13-3-2-6(15)12-9(13)17/h2-3,5,7-8,14,16H,4H2,1H3,(H,12,15,17)/t5-,7-,8-,10-/m0/s1
InChIKey
ARKKGZQTGXJVKW-BNJNZJEJSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
3
Molar refractivity
57.84
TPSA
104.55
LogP / Solubility
WLOGP
-1.48
MLOGP
-1.3
XLogP3
-1.1
Consensus LogP
-1.29
Log S (ESOL)
-0.63
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
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)
-5.36
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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