![4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide structure](/static/products/4284/428447-63-6.webp)
4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
TL;DR: 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 428447-63-6) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Also Known As: BAS 02820030, 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide, 4-methoxy-3-nitro-N-{[4-(propanoylamino)phenyl]carbamothioyl}benzamide, N-{4-[3-(4-Methoxy-3-nitro-benzoyl)-thioureido]-phenyl}-propionamide, N-[4-({[(4-methoxy-3-nitrophenyl)carbonylamino]thioxomethyl}amino)phenyl]propa namide
| Molecular Formula | C18H18N4O5S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 3.0787 |
| Topological Polar Surface Area | 122.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.0998 |
| Heavy Atoms | 28 |
| Complexity | 914.692 |
Chemical Identifiers
| CAS Number | 428447-63-6 |
|---|---|
| SMILES | CCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-] |
Product Overview
4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide (CAS 428447-63-6), with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol. IUPAC: 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
Property Insights of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide
The XLogP value of 3.0787 indicates that 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide. Following Lipinski's Rule of Five, 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide has 3 hydrogen bond donor(s) and 6 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 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The CAS number of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 428447-63-6.
What is the molecular formula of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular formula of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is C18H18N4O5S.
What is the molecular weight of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
The molecular weight of 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide is 402.10 g/mol.
Where can I buy 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
You can request a quote for 4-methoxy-3-nitro-N-[[4-(propanoylamino)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 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-3-nitro-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.