![N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide structure](/static/products/7067/706762-85-8.webp)
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
TL;DR: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide (CAS 706762-85-8) is a chemical compound with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
Also Known As: AP-970/42249984, N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide, N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-3,5-dimethylbenzamide, N-[4-(4-butyryl-1-piperazinyl)phenyl]-N'-(3,5-dimethylbenzoyl)thiourea, N-[[4-(4-butanoylpiperazin-1-yl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide
| Molecular Formula | C24H30N4O2S |
|---|---|
| Molecular Weight | 438.21 g/mol |
| LogP | 3.87894 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.20895 |
| Heavy Atoms | 31 |
| Complexity | 930.3017 |
Chemical Identifiers
| CAS Number | 706762-85-8 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C |
Product Overview
N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide (CAS 706762-85-8), with molecular formula C24H30N4O2S and molecular weight 438.21 g/mol. IUPAC: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide.
Chemical Property Profile of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
Property Insights of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide
The XLogP value of 3.87894 indicates that N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-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-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide. Following Lipinski's Rule of Five, N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide 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 N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The CAS number of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide is 706762-85-8.
What is the molecular formula of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The molecular formula of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide is C24H30N4O2S.
What is the molecular weight of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide?
The molecular weight of N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide is 438.21 g/mol.
Where can I buy N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide?
You can request a quote for N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-dimethylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.