CAS RN: 145918-75-8
TROXACITABINE
Product Availability
Choose a grade to view its available package options.
6 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260531 | 100mg | Out of stock | Inquiry | |
| Batchno.20250702 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250215 | 25mg | Out of stock | Inquiry | |
| Batchno.20250114 | 2mg | In stock | Shanghai | Inquiry |
| Batchno.20251019 | 50mg | Out of stock | Inquiry | |
| Batchno.20260401 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS145918-75-8
- Purity/Analytical Methods: >99.0%
145918-75-8 / 4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Basic Information
CAS
145918-75-8
Multi CAS
No
Molecular Formula
C8H11N3O4
Molecular Weight
213.190000
Exact Mass
213.074956
SMILES
C1[C@H](O[C@H](O1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O4/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1
InChIKey
RXRGZNYSEHTMHC-BQBZGAKWSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
2
Molar refractivity
49.86
TPSA
99.6
LogP / Solubility
WLOGP
-1.31
MLOGP
-1.15
XLogP3
-1.7
Consensus LogP
-1.39
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-0.36
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.2
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)
-4.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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