CAS RN: 261766-73-8
5-HT4 antagonist 1
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.20260106 | 1mg / 5mg / 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS261766-73-8
- Purity/Analytical Methods: >99.0%
261766-73-8 / N-[[1-[3-(4-methylpiperazin-1-yl)sulfonylpropyl]piperidin-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
Basic Information
CAS
261766-73-8
Multi CAS
No
Molecular Formula
C23H36N4O5S
Molecular Weight
480.600000
Exact Mass
480.240641
SMILES
CN1CCN(CC1)S(=O)(=O)CCCN2CCC(CC2)CNC(=O)C3=C4C(=CC=C3)OCCO4
InChI
InChI=1S/C23H36N4O5S/c1-25-11-13-27(14-12-25)33(29,30)17-3-8-26-9-6-19(7-10-26)18-24-23(28)20-4-2-5-21-22(20)32-16-15-31-21/h2,4-5,19H,3,6-18H2,1H3,(H,24,28)
InChIKey
AUXZCLHKLUWDDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
6
Fraction Csp3
0.7
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
126.4
TPSA
91.42
LogP / Solubility
WLOGP
0.87
MLOGP
0.8
XLogP3
1.2
Consensus LogP
0.96
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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