![N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide structure](/static/products/831/831192-55-3.png)
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
TL;DR: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide (CAS 831192-55-3) is a chemical compound with molecular formula C18H25ClN4O2S and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
Also Known As: AP-970/43030361, N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide, N-{[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl}butanamide, N-butyryl-N'-[5-chloro-2-(4-propionyl-1-piperazinyl)phenyl]thiourea
| Molecular Formula | C18H25ClN4O2S |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.0117 |
| Topological Polar Surface Area | 64.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.13867 |
| Heavy Atoms | 26 |
| Complexity | 675.15497 |
Chemical Identifiers
| CAS Number | 831192-55-3 |
|---|---|
| SMILES | CCCC(=O)NC(=S)NC1=C(C=CC(=C1)Cl)N2CCN(CC2)C(=O)CC |
Product Overview
N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide (CAS 831192-55-3), with molecular formula C18H25ClN4O2S and molecular weight 396.14 g/mol. IUPAC: N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide.
Chemical Property Profile of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
Property Insights of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide
The XLogP value of 3.0117 indicates that N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide 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-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide. Following Lipinski's Rule of Five, N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide 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-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide?
The CAS number of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide is 831192-55-3.
What is the molecular formula of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide?
The molecular formula of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide is C18H25ClN4O2S.
What is the molecular weight of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide?
The molecular weight of N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide is 396.14 g/mol.
Where can I buy N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide?
You can request a quote for N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.