![3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide structure](/static/products/6488/648874-58-2.webp)
3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
TL;DR: 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 648874-58-2) is a chemical compound with molecular formula C15H12IN3O3S and molecular weight 440.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
Also Known As: 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide, 3-iodo-4-methyl-N-{[(4-nitrophenyl)amino]carbonothioyl}benzamide, 3-iodo-4-methyl-N-[(4-nitrophenyl)thiocarbamoyl]benzamide
| Molecular Formula | C15H12IN3O3S |
|---|---|
| Molecular Weight | 440.96 g/mol |
| LogP | 3.63462 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.96442 |
| Heavy Atoms | 23 |
| Complexity | 778.0366 |
Chemical Identifiers
| CAS Number | 648874-58-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])I |
Product Overview
3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide (CAS 648874-58-2), with molecular formula C15H12IN3O3S and molecular weight 440.96 g/mol. IUPAC: 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide.
Chemical Property Profile of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
Property Insights of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide
The XLogP value of 3.63462 indicates that 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide 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 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide. Following Lipinski's Rule of Five, 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide 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 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The CAS number of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is 648874-58-2.
What is the molecular formula of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular formula of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is C15H12IN3O3S.
What is the molecular weight of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
The molecular weight of 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide is 440.96 g/mol.
Where can I buy 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
You can request a quote for 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-4-methyl-N-[(4-nitrophenyl)carbamothioyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.