CAS RN: 1639220-15-7
Sigma-1 receptor antagonist 2
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250117 | 10mg / 25mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1639220-15-7
- Purity/Analytical Methods: >99.0%
1639220-15-7 / 5-chloro-2-(4-methoxyphenyl)-4-methyl-6-(3-piperidin-1-ylpropoxy)pyrimidine
Basic Information
CAS
1639220-15-7
Multi CAS
No
Molecular Formula
C20H26ClN3O2
Molecular Weight
375.900000
Exact Mass
375.171355
SMILES
CC1=C(C(=NC(=N1)C2=CC=C(C=C2)OC)OCCCN3CCCCC3)Cl
InChI
InChI=1S/C20H26ClN3O2/c1-15-18(21)20(26-14-6-13-24-11-4-3-5-12-24)23-19(22-15)16-7-9-17(25-2)10-8-16/h7-10H,3-6,11-14H2,1-2H3
InChIKey
FAEOHCOAHZFOEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
104.17
TPSA
47.48
LogP / Solubility
WLOGP
4.37
MLOGP
3.87
XLogP3
4.4
Consensus LogP
4.21
Log S (ESOL)
-4.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.8
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
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)
-1.91
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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