![N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide structure](/static/products/3337/333739-58-5.webp)
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide
TL;DR: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide (CAS 333739-58-5) is a chemical compound with molecular formula C15H12FN3O4S and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide
Also Known As: BAS 02820113, N-{4-fluoro-3-nitrophenyl}-N'-(4-methoxybenzoyl)thiourea, AB00107425-01, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide, 1-(4-Fluoro-3-nitro-phenyl)-3-(4-methoxy-benzoyl)-thiourea
| Molecular Formula | C15H12FN3O4S |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | 2.8693 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.05325 |
| Heavy Atoms | 24 |
| Complexity | 795.8062 |
Chemical Identifiers
| CAS Number | 333739-58-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide (CAS 333739-58-5), with molecular formula C15H12FN3O4S and molecular weight 349.05 g/mol. IUPAC: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide.
Chemical Property Profile of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide
Property Insights of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide
The XLogP value of 2.8693 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide. Following Lipinski's Rule of Five, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide 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]-4-methoxybenzamide?
The CAS number of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide is 333739-58-5.
What is the molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide?
The molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide is C15H12FN3O4S.
What is the molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide?
The molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide is 349.05 g/mol.
Where can I buy N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide?
You can request a quote for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide 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]-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.