![2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide structure](/static/products/2946/294657-63-9.webp)
2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
TL;DR: 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294657-63-9) is a chemical compound with molecular formula C16H12Cl3N5O5S and molecular weight 490.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide, F0095-1002, 2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide, 2-nitro-N-(2,2,2-trichloro-1-(3-(3-nitrophenyl)thioureido)ethyl)benzamide, 2-Nitro-N-[2,2,2-trichloro-1-({[(3-nitrophenyl)amino]carbonothioyl}amino)ethyl]benzamide
| Molecular Formula | C16H12Cl3N5O5S |
|---|---|
| Molecular Weight | 490.96 g/mol |
| LogP | 3.9157 |
| Topological Polar Surface Area | 139.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.96246 |
| Heavy Atoms | 30 |
| Complexity | 1001.2313 |
Chemical Identifiers
| CAS Number | 294657-63-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294657-63-9), with molecular formula C16H12Cl3N5O5S and molecular weight 490.96 g/mol. IUPAC: 2-nitro-N-[2,2,2-trichloro-1-[(3-nitrophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
Property Insights of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide
The XLogP value of 3.9157 indicates that 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide has 3 hydrogen bond donor(s) and 6 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 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide?
The CAS number of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide is 294657-63-9.
What is the molecular formula of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular formula of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide is C16H12Cl3N5O5S.
What is the molecular weight of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular weight of 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide is 490.96 g/mol.
Where can I buy 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide?
You can request a quote for 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]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 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.