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CAS RN: 1353966-24-1
2-(4-ChloroMethyl-piperidin-1-yl)-5-fluoro-pyriMidine
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.20251115 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353966-24-1
- Purity/Analytical Methods: >99.0%
1353966-24-1 / 2-[4-(chloromethyl)piperidin-1-yl]-5-fluoropyrimidine
Basic Information
CAS
1353966-24-1
Multi CAS
No
Molecular Formula
C10H13ClFN3
Molecular Weight
229.680000
Exact Mass
229.078203
SMILES
C1CN(CCC1CCl)C2=NC=C(C=N2)F
InChI
InChI=1S/C10H13ClFN3/c11-5-8-1-3-15(4-2-8)10-13-6-9(12)7-14-10/h6-8H,1-5H2
InChIKey
UVZCIIPOMUWPJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
57.65
TPSA
29.02
LogP / Solubility
WLOGP
2.07
MLOGP
1.83
XLogP3
2.1
Consensus LogP
2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
Class (SILICOS-IT)
Poorly 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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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