![N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide structure](/static/products/4288/428849-68-7.webp)
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
TL;DR: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 428849-68-7) is a chemical compound with molecular formula C17H12FN3O4S and molecular weight 373.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Also Known As: AB00110029-01, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide, N-{[(4-fluoro-3-nitrophenyl)amino]carbonothioyl}-3-methyl-1-benzofuran-2-carboxamide
| Molecular Formula | C17H12FN3O4S |
|---|---|
| Molecular Weight | 373.05 g/mol |
| LogP | 3.91532 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 373.05325 |
| Heavy Atoms | 26 |
| Complexity | 1047.6641 |
Chemical Identifiers
| CAS Number | 428849-68-7 |
|---|---|
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=CC(=C(C=C3)F)[N+](=O)[O-] |
Product Overview
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide (CAS 428849-68-7), with molecular formula C17H12FN3O4S and molecular weight 373.05 g/mol. IUPAC: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide.
Chemical Property Profile of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
Property Insights of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide
The XLogP value of 3.91532 indicates that N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide. Following Lipinski's Rule of Five, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide has 2 hydrogen bond donor(s) and 5 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-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The CAS number of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is 428849-68-7.
What is the molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is C17H12FN3O4S.
What is the molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
The molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide is 373.05 g/mol.
Where can I buy N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
You can request a quote for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-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-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.