![CAS 259525-01-4 4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidyl)pentoxy]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/259525-01-4.gif)
CAS RN: 259525-01-4
4-(4-fluorophenyl)-2-methyl-6-[5-(1-piperidyl)pentoxy]pyrimidine
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260127 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS259525-01-4
- Purity/Analytical Methods: >99.0%
259525-01-4 / 4-(4-fluorophenyl)-2-methyl-6-(5-piperidin-1-ylpentoxy)pyrimidine
Basic Information
CAS
259525-01-4
Multi CAS
No
Molecular Formula
C21H28FN3O
Molecular Weight
357.500000
Exact Mass
357.221641
SMILES
CC1=NC(=CC(=N1)OCCCCCN2CCCCC2)C3=CC=C(C=C3)F
InChI
InChI=1S/C21H28FN3O/c1-17-23-20(18-8-10-19(22)11-9-18)16-21(24-17)26-15-7-3-6-14-25-12-4-2-5-13-25/h8-11,16H,2-7,12-15H2,1H3
InChIKey
SZSHJTJCJOWMHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.52
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
101.8
TPSA
38.25
LogP / Solubility
WLOGP
4.63
MLOGP
4.09
XLogP3
4.6
Consensus LogP
4.44
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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