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CAS 1323140-64-2 (Z)-N-(1-chloro-1-(4-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide molecular structure lightbox
CAS RN: 1323140-64-2

(Z)-N-(1-chloro-1-(4-methoxyphenyl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl)benzamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250129 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1323140-64-2
  • Purity/Analytical Methods: >99.0%
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1323140-64-2 / N-[(Z)-1-chloro-1-(4-methoxyphenyl)-3-oxo-3-piperidin-1-ylprop-1-en-2-yl]benzamide

Standard CAS: 1323140-64-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1323140-64-2
Multi CAS
No
Molecular Formula
C22H23ClN2O3
Molecular Weight
398.900000
Exact Mass
398.139720
SMILES
COC1=CC=C(C=C1)/C(=C(\C(=O)N2CCCCC2)/NC(=O)C3=CC=CC=C3)/Cl
InChI
InChI=1S/C22H23ClN2O3/c1-28-18-12-10-16(11-13-18)19(23)20(22(27)25-14-6-3-7-15-25)24-21(26)17-8-4-2-5-9-17/h2,4-5,8-13H,3,6-7,14-15H2,1H3,(H,24,26)/b20-19-
InChIKey
FAZSNTAOGNSKDI-VXPUYCOJSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
110.11
TPSA
58.64

LogP / Solubility

WLOGP
4.05
MLOGP
3.58
XLogP3
4.1
Consensus LogP
3.91
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.21
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)
-2.28

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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