3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide
TL;DR: 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 593239-16-8) is a chemical compound with molecular formula C23H20Cl2N4O2S2 and molecular weight 518.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
Also Known As: 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide, 3-chloro-N-({3-chloro-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide, 3-chloro-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide, 3-chloro-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C23H20Cl2N4O2S2 |
|---|---|
| Molecular Weight | 518.04 g/mol |
| LogP | 5.1441 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.04047 |
| Heavy Atoms | 33 |
| Complexity | 1178.9644 |
Chemical Identifiers
| CAS Number | 593239-16-8 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Cl)Cl)C(=O)C4=CC=CS4 |
Product Overview
3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 593239-16-8), with molecular formula C23H20Cl2N4O2S2 and molecular weight 518.04 g/mol. IUPAC: 3-chloro-N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide
Property Insights of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide
The XLogP value of 5.1441 indicates that 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-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 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide?
The CAS number of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide is 593239-16-8.
What is the molecular formula of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular formula of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide is C23H20Cl2N4O2S2.
What is the molecular weight of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular weight of 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide is 518.04 g/mol.
Where can I buy 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide?
You can request a quote for 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-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 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.