CAS RN: 120258-30-2
Pyrimidine, 5-fluoro-4-methoxy- (9CI)
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.20260415 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS120258-30-2
- Purity/Analytical Methods: >99.0%
120258-30-2 / 5-fluoro-4-methoxypyrimidine
5-fluoro-4-methoxypyrimidine | Pyrimidine, 5-fluoro-4-methoxy- (9CI) | 5-fluoro-4-methoxy-pyrimidine
Basic Information
CAS
120258-30-2
Multi CAS
No
Molecular Formula
C5H5FN2O
Molecular Weight
128.100000
Exact Mass
128.038591
SMILES
COC1=NC=NC=C1F
InChI
InChI=1S/C5H5FN2O/c1-9-5-4(6)2-7-3-8-5/h2-3H,1H3
InChIKey
RPHAYWVYKQNWCP-UHFFFAOYSA-N
Synonyms
5-fluoro-4-methoxypyrimidine
Pyrimidine, 5-fluoro-4-methoxy- (9CI)
5-fluoro-4-methoxy-pyrimidine
SCHEMBL1526240
SCHEMBL6245196
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
28.54
TPSA
35.01
LogP / Solubility
WLOGP
0.62
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.06
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.06
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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