CAS RN: 1161443-73-7
Mosapride N-Oxide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250401 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1161443-73-7
- Purity/Analytical Methods: >99.0%
1161443-73-7 / 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-4-oxidomorpholin-4-ium-2-yl]methyl]benzamide
Mosapride N-Oxide | 4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-4-oxidomorpholin-4-ium-2-yl]methyl]benzamide | 2-((4-Amino-5-chloro-2-ethoxybenzamido)methyl)-4-(4-fluorobenzyl)morpholine 4-oxide
Basic Information
CAS
1161443-73-7
Multi CAS
No
Molecular Formula
C21H25ClFN3O4
Molecular Weight
437.900000
Exact Mass
437.151762
SMILES
CCOC1=CC(=C(C=C1C(=O)NCC2C[N+](CCO2)(CC3=CC=C(C=C3)F)[O-])Cl)N
InChI
InChI=1S/C21H25ClFN3O4/c1-2-29-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(28,7-8-30-16)12-14-3-5-15(23)6-4-14/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27)
InChIKey
IMJYXYWPAQJNFA-UHFFFAOYSA-N
Synonyms
Mosapride N-Oxide
4-amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]-4-oxidomorpholin-4-ium-2-yl]methyl]benzamide
2-((4-Amino-5-chloro-2-ethoxybenzamido)methyl)-4-(4-fluorobenzyl)morpholine 4-oxide
Mosapride Impurity 1
Mosapride Impurity G
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
2
Molar refractivity
112.57
TPSA
96.64
LogP / Solubility
WLOGP
3.1
MLOGP
2.76
XLogP3
2.3
Consensus LogP
2.72
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
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
3.5
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