![4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide structure](/static/products/3510/351005-67-9.webp)
4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide
TL;DR: 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide (CAS 351005-67-9) is a chemical compound with molecular formula C16H12Cl3IN4O3S and molecular weight 571.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide, 4-Iodo-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide, 4-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide, 4-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]benzamide, 4-Iodo-N-[2,2,2-trichloro-1-[[[(3-nitrophenyl)amino]thioxomethyl]amino]ethyl]benzamide
| Molecular Formula | C16H12Cl3IN4O3S |
|---|---|
| Molecular Weight | 571.87 g/mol |
| LogP | 4.6121 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 571.874 |
| Heavy Atoms | 28 |
| Complexity | 893.44836 |
Chemical Identifiers
| CAS Number | 351005-67-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=C(C=C2)I |
Product Overview
4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide (CAS 351005-67-9), with molecular formula C16H12Cl3IN4O3S and molecular weight 571.87 g/mol. IUPAC: 4-iodo-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide
Property Insights of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide
The XLogP value of 4.6121 indicates that 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide?
The CAS number of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide is 351005-67-9.
What is the molecular formula of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide?
The molecular formula of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide is C16H12Cl3IN4O3S.
What is the molecular weight of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide?
The molecular weight of 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide is 571.87 g/mol.
Where can I buy 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide?
You can request a quote for 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-iodo-N-(2,2,2-trichloro-1-{[(3-nitroanilino)carbothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.