![N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide structure](/static/products/3560/356076-69-2.webp)
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide
TL;DR: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide (CAS 356076-69-2) is a chemical compound with molecular formula C15H12FN3O3S and molecular weight 333.06 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-methylbenzamide
Also Known As: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide, AB00109207-01, AN-648/40681872, N-{4-fluoro-3-nitrophenyl}-N'-(3-methylbenzoyl)thiourea, N-((4-fluoro-3-nitrophenyl)carbamothioyl)-3-methylbenzamide
| Molecular Formula | C15H12FN3O3S |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 3.16912 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.05835 |
| Heavy Atoms | 23 |
| Complexity | 795.2866 |
Chemical Identifiers
| CAS Number | 356076-69-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)F)[N+](=O)[O-] |
Product Overview
N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide (CAS 356076-69-2), with molecular formula C15H12FN3O3S and molecular weight 333.06 g/mol. IUPAC: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide.
Chemical Property Profile of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide
Property Insights of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide
The XLogP value of 3.16912 indicates that N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide. Following Lipinski's Rule of Five, N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide has 2 hydrogen bond donor(s) and 4 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-methylbenzamide?
The CAS number of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide is 356076-69-2.
What is the molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide?
The molecular formula of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide is C15H12FN3O3S.
What is the molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide?
The molecular weight of N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide is 333.06 g/mol.
Where can I buy N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide?
You can request a quote for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide 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-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.