CAS RN: 265977-72-8
(Z)-N-(1-chloro-3-oxo-1-phenyl-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide
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.20260225 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS265977-72-8
- Purity/Analytical Methods: >99.0%
265977-72-8 / N-(1-chloro-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl)benzamide
Basic Information
CAS
265977-72-8
Multi CAS
No
Molecular Formula
C21H21ClN2O2
Molecular Weight
368.900000
Exact Mass
368.129156
SMILES
C1CCN(CC1)C(=O)C(=C(C2=CC=CC=C2)Cl)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H21ClN2O2/c22-18(16-10-4-1-5-11-16)19(21(26)24-14-8-3-9-15-24)23-20(25)17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H,23,25)
InChIKey
FGCZYICKZZNEEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
103.55
TPSA
49.41
LogP / Solubility
WLOGP
4.04
MLOGP
3.57
XLogP3
4.1
Consensus LogP
3.9
Log S (ESOL)
-4.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble
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)
-2.1
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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