CAS RN: 591-36-6
6-FLUOROURACIL
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.20250914 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS591-36-6
- Purity/Analytical Methods: >99.0%
591-36-6 / 6-fluoro-1H-pyrimidine-2,4-dione
Basic Information
CAS
591-36-6
Multi CAS
Yes
Molecular Formula
C4FH3N2O2
Molecular Weight
130.080000
Exact Mass
130.017856
InChI
InChI=1S/C4H3FN2O2/c5-2-1-3(8)7-4(9)6-2/h1H,(H2,6,7,8,9)
InChIKey
ZARBPJCRKSPIRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
H-bond donors
2
Molar refractivity
27.64
TPSA
65.72
LogP / Solubility
WLOGP
-0.8
MLOGP
-0.71
XLogP3
-0.8
Consensus LogP
-0.77
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.05
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.16
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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