2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
TL;DR: 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 674297-10-0) is a chemical compound with molecular formula C22H25ClN4O2S and molecular weight 444.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
Also Known As: 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide, 2-chloro-N-({4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide, 2-chloro-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide, 2-chloro-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C22H25ClN4O2S |
|---|---|
| Molecular Weight | 444.14 g/mol |
| LogP | 3.7714 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 444.13867 |
| Heavy Atoms | 30 |
| Complexity | 924.9897 |
Chemical Identifiers
| CAS Number | 674297-10-0 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3Cl |
Product Overview
2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 674297-10-0), with molecular formula C22H25ClN4O2S and molecular weight 444.14 g/mol. IUPAC: 2-chloro-N-[[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
Property Insights of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
The XLogP value of 3.7714 indicates that 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 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 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The CAS number of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is 674297-10-0.
What is the molecular formula of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular formula of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is C22H25ClN4O2S.
What is the molecular weight of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular weight of 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is 444.14 g/mol.
Where can I buy 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
You can request a quote for 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-((4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.