CAS RN: 161599-46-8
2′,3′-Di-O-acetyl-5′-deoxy-5-fluorocytidine
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260302 | 100g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251208 | 10g | In stock | Tianjin, Wuhan | Inquiry |
| Batchno.20250605 | 1g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260227 | 250mg | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250118 | 25g | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20260611 | 5g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 1g / 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: SSC-069201
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g, 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
161599-46-8 / [(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
Basic Information
CAS
161599-46-8
Multi CAS
No
Molecular Formula
C13H16FN3O6
Molecular Weight
329.280000
Exact Mass
329.102313
SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
InChI
InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
InChIKey
NWJBWNIUGNXJGO-RPULLILYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
1
Molar refractivity
73.56
TPSA
122.74
LogP / Solubility
WLOGP
-0.25
MLOGP
-0.21
XLogP3
-0.7
Consensus LogP
-0.39
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-4.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
Safety & Transport
Pictogram(s)
Irritant
Health Hazard
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H341 (71.4%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]
H350 (85.7%): May cause cancer [Danger Carcinogenicity]
H351 (14.3%): Suspected of causing cancer [Warning Carcinogenicity]
Precautionary Statement Codes
P203, P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P391, P405, and P501
