2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
TL;DR: 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 674356-46-8) is a chemical compound with molecular formula C22H23Cl3N4O2S and molecular weight 512.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide
Also Known As: 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide, 2,3-dichloro-N-({3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl}carbamothioyl)benzamide, 2,3-dichloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide, 2,3-dichloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C22H23Cl3N4O2S |
|---|---|
| Molecular Weight | 512.06 g/mol |
| LogP | 5.0782 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 512.0607 |
| Heavy Atoms | 32 |
| Complexity | 1039.8312 |
Chemical Identifiers
| CAS Number | 674356-46-8 |
|---|---|
| SMILES | CC(C)C(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C(=CC=C3)Cl)Cl)Cl |
Product Overview
2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide (CAS 674356-46-8), with molecular formula C22H23Cl3N4O2S and molecular weight 512.06 g/mol. IUPAC: 2,3-dichloro-N-[[3-chloro-4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
Property Insights of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide
The XLogP value of 5.0782 indicates that 2,3-dichloro-N-((3-chloro-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 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide. Following Lipinski's Rule of Five, 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The CAS number of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is 674356-46-8.
What is the molecular formula of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular formula of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is C22H23Cl3N4O2S.
What is the molecular weight of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
The molecular weight of 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide is 512.06 g/mol.
Where can I buy 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
You can request a quote for 2,3-dichloro-N-((3-chloro-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 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,3-dichloro-N-((3-chloro-4-(4-isobutyrylpiperazin-1-yl)phenyl)carbamothioyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.