![4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide structure](/static/products/7012/701253-67-0.webp)
4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide
TL;DR: 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide (CAS 701253-67-0) is a chemical compound with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide
Also Known As: 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide, 4-ethoxy-N-({4-[5-(hydroxymethyl)furan-2-yl]phenyl}carbamothioyl)-3-nitrobenzamide
| Molecular Formula | C21H19N3O6S |
|---|---|
| Molecular Weight | 441.10 g/mol |
| LogP | 3.8726 |
| Topological Polar Surface Area | 126.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.09946 |
| Heavy Atoms | 31 |
| Complexity | 1110.5577 |
Chemical Identifiers
| CAS Number | 701253-67-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)[N+](=O)[O-] |
Product Overview
4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide (CAS 701253-67-0), with molecular formula C21H19N3O6S and molecular weight 441.10 g/mol. IUPAC: 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide.
Chemical Property Profile of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide
Property Insights of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide
The XLogP value of 3.8726 indicates that 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide. Following Lipinski's Rule of Five, 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide has 3 hydrogen bond donor(s) and 7 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-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide?
The CAS number of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide is 701253-67-0.
What is the molecular formula of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular formula of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide is C21H19N3O6S.
What is the molecular weight of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide?
The molecular weight of 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide is 441.10 g/mol.
Where can I buy 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide?
You can request a quote for 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-ethoxy-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.