CAS RN: 1391733-75-7
2-(Fluoromethyl)Pyrimidin-5-Ol(WX649079)
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.20251023 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391733-75-7
- Purity/Analytical Methods: >99.0%
1391733-75-7 / 2-(fluoromethyl)pyrimidin-5-ol
Basic Information
CAS
1391733-75-7
Multi CAS
No
Molecular Formula
C5H5FN2O
Molecular Weight
128.100000
Exact Mass
128.038591
SMILES
C1=C(C=NC(=N1)CF)O
InChI
InChI=1S/C5H5FN2O/c6-1-5-7-2-4(9)3-8-5/h2-3,9H,1H2
InChIKey
YQUCGXDIYLBEOA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
28.51
TPSA
46.01
LogP / Solubility
WLOGP
0.65
MLOGP
0.56
Consensus LogP
0.4
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.04
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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