CAS RN: 1649450-12-3
ML352
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7 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251109 | 100mg | Out of stock | Inquiry |
| Batchno.20260625 | 10mg | Out of stock | Inquiry |
| Batchno.20250813 | 1mg | Out of stock | Inquiry |
| Batchno.20260321 | 25mg | Out of stock | Inquiry |
| Batchno.20251028 | 2mg | Out of stock | Inquiry |
| Batchno.20250510 | 50mg | Out of stock | Inquiry |
| Batchno.20250822 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1649450-12-3
- Purity/Analytical Methods: >99.0%
1649450-12-3 / 4-methoxy-3-(1-methylpiperidin-4-yl)oxy-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]benzamide
Basic Information
CAS
1649450-12-3
Multi CAS
No
Molecular Formula
C21H29N3O4
Molecular Weight
387.500000
Exact Mass
387.215806
SMILES
CC(C)C1=NOC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC3CCN(CC3)C
InChI
InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25)
InChIKey
WBLVOWHFRUAMCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
1
Molar refractivity
105.9
TPSA
76.83
LogP / Solubility
WLOGP
3.21
MLOGP
2.85
XLogP3
2.9
Consensus LogP
2.99
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.68
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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