![3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide structure](/static/products/5369/536985-64-5.webp)
3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
TL;DR: 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide (CAS 536985-64-5) is a chemical compound with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
Also Known As: 3-butoxy-N-({4-[(propanoylcarbamothioyl)amino]phenyl}carbamothioyl)benzamide, 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide, 3-butoxy-N-[[4-(propanoylthiocarbamoylamino)phenyl]thiocarbamoyl]benzamide
| Molecular Formula | C22H26N4O3S2 |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.2153 |
| Topological Polar Surface Area | 91.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.14462 |
| Heavy Atoms | 31 |
| Complexity | 932.6082 |
Chemical Identifiers
| CAS Number | 536985-64-5 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=S)NC(=O)CC |
Product Overview
3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide (CAS 536985-64-5), with molecular formula C22H26N4O3S2 and molecular weight 458.14 g/mol. IUPAC: 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
Property Insights of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide
The XLogP value of 4.2153 indicates that 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide has 4 hydrogen bond donor(s) and 5 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 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide?
The CAS number of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide is 536985-64-5.
What is the molecular formula of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide?
The molecular formula of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide is C22H26N4O3S2.
What is the molecular weight of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide?
The molecular weight of 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide is 458.14 g/mol.
Where can I buy 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide?
You can request a quote for 3-butoxy-N-[[4-(propanoylcarbamothioylamino)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 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-butoxy-N-[[4-(propanoylcarbamothioylamino)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.