![N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide structure](/static/products/4284/428495-31-2.webp)
N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
TL;DR: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide (CAS 428495-31-2) is a chemical compound with molecular formula C21H18N4O6S and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
Also Known As: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide, N-[4-({[(4-ethoxy-3-nitrophenyl)carbonyl]carbamothioyl}amino)phenyl]furan-2-carboxamide, N-[4-({[(4-ethoxy-3-nitrobenzoyl)amino]carbonothioyl}amino)phenyl]-2-furamide
| Molecular Formula | C21H18N4O6S |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 3.9656 |
| Topological Polar Surface Area | 135.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.0947 |
| Heavy Atoms | 32 |
| Complexity | 1145.6063 |
Chemical Identifiers
| CAS Number | 428495-31-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=CO3)[N+](=O)[O-] |
Product Overview
N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide (CAS 428495-31-2), with molecular formula C21H18N4O6S and molecular weight 454.09 g/mol. IUPAC: N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide.
Chemical Property Profile of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
Property Insights of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide
The XLogP value of 3.9656 indicates that N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide. Following Lipinski's Rule of Five, N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide 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 N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The CAS number of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is 428495-31-2.
What is the molecular formula of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The molecular formula of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is C21H18N4O6S.
What is the molecular weight of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
The molecular weight of N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide is 454.09 g/mol.
Where can I buy N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
You can request a quote for N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide 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-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-[(4-ethoxy-3-nitrobenzoyl)carbamothioylamino]phenyl]furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.