5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide
TL;DR: 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide (CAS 536722-73-3) is a chemical compound with molecular formula C13H10BrN3O5S and molecular weight 398.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]furan-2-carboxamide
Also Known As: 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide, 5-bromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]furan-2-carboxamide, 3-(5-BROMOFURAN-2-CARBONYL)-1-(4-METHOXY-3-NITROPHENYL)THIOUREA, F1201-0167, 5-bromo-n-{[(4-methoxy-3-nitrophenyl)amino]carbonothioyl}-2-furamide
| Molecular Formula | C13H10BrN3O5S |
|---|---|
| Molecular Weight | 398.95 g/mol |
| LogP | 3.0857 |
| Topological Polar Surface Area | 106.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.95245 |
| Heavy Atoms | 23 |
| Complexity | 776.7205 |
Chemical Identifiers
| CAS Number | 536722-73-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(O2)Br)[N+](=O)[O-] |
Product Overview
5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide (CAS 536722-73-3), with molecular formula C13H10BrN3O5S and molecular weight 398.95 g/mol. IUPAC: 5-bromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]furan-2-carboxamide.
Chemical Property Profile of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide
Property Insights of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide
The XLogP value of 3.0857 indicates that 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide has 2 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 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide?
The CAS number of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide is 536722-73-3.
What is the molecular formula of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide?
The molecular formula of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide is C13H10BrN3O5S.
What is the molecular weight of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide?
The molecular weight of 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide is 398.95 g/mol.
Where can I buy 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide?
You can request a quote for 5-bromo-N-((4-methoxy-3-nitrophenyl)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-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-N-((4-methoxy-3-nitrophenyl)carbamothioyl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.