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N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide
TL;DR: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide (CAS 425682-72-0) is a chemical compound with molecular formula C14H9FIN3O3S and molecular weight 444.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide
Also Known As: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide, N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-3-iodo-benzamide
| Molecular Formula | C14H9FIN3O3S |
|---|---|
| Molecular Weight | 444.94 g/mol |
| LogP | 3.4653 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.93933 |
| Heavy Atoms | 23 |
| Complexity | 800.587 |
Chemical Identifiers
| CAS Number | 425682-72-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])F |
Product Overview
N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide (CAS 425682-72-0), with molecular formula C14H9FIN3O3S and molecular weight 444.94 g/mol. IUPAC: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide.
Chemical Property Profile of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide
Property Insights of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide
The XLogP value of 3.4653 indicates that N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide 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-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide. Following Lipinski's Rule of Five, N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide 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-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide?
The CAS number of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide is 425682-72-0.
What is the molecular formula of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide?
The molecular formula of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide is C14H9FIN3O3S.
What is the molecular weight of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide?
The molecular weight of N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide is 444.94 g/mol.
Where can I buy N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide?
You can request a quote for N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-3-iodobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.