N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide
TL;DR: N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide (CAS 593239-17-9) is a chemical compound with molecular formula C23H20ClFN4O2S2 and molecular weight 502.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide
Also Known As: N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide, N-({3-chloro-4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)-4-fluorobenzamide, N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide, N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]thiocarbamoyl]-4-fluoro-benzamide
| Molecular Formula | C23H20ClFN4O2S2 |
|---|---|
| Molecular Weight | 502.07 g/mol |
| LogP | 4.6298 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 502.07004 |
| Heavy Atoms | 33 |
| Complexity | 1163.7144 |
Chemical Identifiers
| CAS Number | 593239-17-9 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)F)Cl)C(=O)C4=CC=CS4 |
Product Overview
N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide (CAS 593239-17-9), with molecular formula C23H20ClFN4O2S2 and molecular weight 502.07 g/mol. IUPAC: N-[[3-chloro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]carbamothioyl]-4-fluorobenzamide.
Chemical Property Profile of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide
Property Insights of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide
The XLogP value of 4.6298 indicates that N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide 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 N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide. Following Lipinski's Rule of Five, N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide 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 N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide?
The CAS number of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide is 593239-17-9.
What is the molecular formula of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide?
The molecular formula of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide is C23H20ClFN4O2S2.
What is the molecular weight of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide?
The molecular weight of N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide is 502.07 g/mol.
Where can I buy N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide?
You can request a quote for N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((3-chloro-4-(4-(thiophene-2-carbonyl)piperazin-1-yl)phenyl)carbamothioyl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.