![N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide structure](/static/products/6951/695169-76-7.webp)
N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide
TL;DR: N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide (CAS 695169-76-7) is a chemical compound with molecular formula C28H29ClN4O2S and molecular weight 520.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide
Also Known As: N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide, N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide, N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]thiocarbamoyl]-2,4-dimethyl-benzamide
| Molecular Formula | C28H29ClN4O2S |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 5.35446 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 520.17 |
| Heavy Atoms | 36 |
| Complexity | 1318.6519 |
Chemical Identifiers
| CAS Number | 695169-76-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4C)Cl)C |
Product Overview
N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide (CAS 695169-76-7), with molecular formula C28H29ClN4O2S and molecular weight 520.17 g/mol. IUPAC: N-[[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]carbamothioyl]-2,4-dimethylbenzamide.
Chemical Property Profile of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide
Property Insights of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide
The XLogP value of 5.35446 indicates that N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide 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-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide. Following Lipinski's Rule of Five, N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide 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 N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide?
The CAS number of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide is 695169-76-7.
What is the molecular formula of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide?
The molecular formula of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide is C28H29ClN4O2S.
What is the molecular weight of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide?
The molecular weight of N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide is 520.17 g/mol.
Where can I buy N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide?
You can request a quote for N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide 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-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chloro-4-{4-[(2-methylphenyl)carbonyl]piperazin-1-yl}phenyl)carbamothioyl]-2,4-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.