![N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide structure](/static/products/501/501105-22-2.png)
N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide
TL;DR: N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide (CAS 501105-22-2) is a chemical compound with molecular formula C14H10IN3O3S and molecular weight 426.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide
Also Known As: N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide, N-{2-nitrobenzoyl}-N'-(4-iodophenyl)thiourea, AN-329/41164376, N-{[(4-iodophenyl)amino]carbonothioyl}-2-nitrobenzamide
| Molecular Formula | C14H10IN3O3S |
|---|---|
| Molecular Weight | 426.95 g/mol |
| LogP | 3.3262 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.94876 |
| Heavy Atoms | 22 |
| Complexity | 734.36786 |
Chemical Identifiers
| CAS Number | 501105-22-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)I)[N+](=O)[O-] |
Product Overview
N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide (CAS 501105-22-2), with molecular formula C14H10IN3O3S and molecular weight 426.95 g/mol. IUPAC: N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide.
Chemical Property Profile of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide
Property Insights of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide
The XLogP value of 3.3262 indicates that N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide 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-iodophenyl)carbamothioyl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide 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-iodophenyl)carbamothioyl]-2-nitrobenzamide?
The CAS number of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide is 501105-22-2.
What is the molecular formula of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide?
The molecular formula of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide is C14H10IN3O3S.
What is the molecular weight of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide?
The molecular weight of N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide is 426.95 g/mol.
Where can I buy N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide?
You can request a quote for N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-iodophenyl)carbamothioyl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.