5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide
TL;DR: 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide (CAS 714232-18-5) is a chemical compound with molecular formula C21H13N3O6S and molecular weight 435.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-nitrophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide
Also Known As: 5-(2-nitrophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide, 5-(2-nitrophenyl)-N-[(2-oxochromen-6-yl)thiocarbamoyl]furan-2-carboxamide, 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide, 5-(2-nitrophenyl)-N-[(2-oxo-2H-chromen-6-yl)carbamothioyl]furan-2-carboxamide
| Molecular Formula | C21H13N3O6S |
|---|---|
| Molecular Weight | 435.05 g/mol |
| LogP | 4.088 |
| Topological Polar Surface Area | 127.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.05252 |
| Heavy Atoms | 31 |
| Complexity | 1391.1515 |
Chemical Identifiers
| CAS Number | 714232-18-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=O)C=C4)[N+](=O)[O-] |
Product Overview
5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide (CAS 714232-18-5), with molecular formula C21H13N3O6S and molecular weight 435.05 g/mol. IUPAC: 5-(2-nitrophenyl)-N-[(2-oxochromen-6-yl)carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide
Property Insights of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide
The XLogP value of 4.088 indicates that 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide has 2 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 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide?
The CAS number of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide is 714232-18-5.
What is the molecular formula of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide?
The molecular formula of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide is C21H13N3O6S.
What is the molecular weight of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide?
The molecular weight of 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide is 435.05 g/mol.
Where can I buy 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide?
You can request a quote for 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)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 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-nitrophenyl)-N-((2-oxo-2H-chromen-6-yl)carbamothioyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.