(Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide
TL;DR: (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide (CAS 326003-86-5) is a chemical compound with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]benzamide
Also Known As: (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide, N-[(3Z,4Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene]-2-chlorobenzamide, 2-chloro-N-[(3Z)-5-hydroxy-1-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1,2-dihydro-3H-pyrazol-3-ylidene]benzamide, 2-chloro-N-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]benzamide, 2-chloro-N-[5-oxo-1-phenyl-4-(4,5,6,7-tetrahydro-3H-azepin-2-yl)-2H-pyrazol-3-yl]benzamide
| Molecular Formula | C22H21ClN4O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 4.4344 |
| Topological Polar Surface Area | 79.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1353 |
| Heavy Atoms | 29 |
| Complexity | 1115.341 |
Chemical Identifiers
| CAS Number | 326003-86-5 |
|---|---|
| SMILES | C1CCC(=NCC1)C2=C(NN(C2=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4Cl |
Product Overview
(Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide (CAS 326003-86-5), with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol. IUPAC: 2-chloro-N-[3-oxo-2-phenyl-4-(3,4,5,6-tetrahydro-2H-azepin-7-yl)-1H-pyrazol-5-yl]benzamide.
Chemical Property Profile of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide
Property Insights of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide
The XLogP value of 4.4344 indicates that (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.25 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide. Following Lipinski's Rule of Five, (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide?
The CAS number of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide is 326003-86-5.
What is the molecular formula of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide?
The molecular formula of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide is C22H21ClN4O2.
What is the molecular weight of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide?
The molecular weight of (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide is 408.14 g/mol.
Where can I buy (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide?
You can request a quote for (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-N-((Z)-4-(azepan-2-ylidene)-5-oxo-1-phenylpyrazolidin-3-ylidene)-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.