![N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide structure](/static/products/6897/689759-28-2.webp)
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide
TL;DR: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide (CAS 689759-28-2) is a chemical compound with molecular formula C24H29ClN4O4S and molecular weight 504.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide
Also Known As: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide, N-{[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl}-2,6-dimethoxybenzamide, (2,6-dimethoxyphenyl)-N-({[4-(4-butanoylpiperazinyl)-3-chlorophenyl]amino}thio xomethyl)carboxamide
| Molecular Formula | C24H29ClN4O4S |
|---|---|
| Molecular Weight | 504.16 g/mol |
| LogP | 3.9327 |
| Topological Polar Surface Area | 83.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.1598 |
| Heavy Atoms | 34 |
| Complexity | 1035.0137 |
Chemical Identifiers
| CAS Number | 689759-28-2 |
|---|---|
| SMILES | CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC)Cl |
Product Overview
N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide (CAS 689759-28-2), with molecular formula C24H29ClN4O4S and molecular weight 504.16 g/mol. IUPAC: N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide.
Chemical Property Profile of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide
Property Insights of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide
The XLogP value of 3.9327 indicates that N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide. Following Lipinski's Rule of Five, N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The CAS number of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide is 689759-28-2.
What is the molecular formula of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The molecular formula of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide is C24H29ClN4O4S.
What is the molecular weight of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide?
The molecular weight of N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide is 504.16 g/mol.
Where can I buy N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide?
You can request a quote for N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide 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)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-2,6-dimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.