![3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide structure](/static/products/2946/294658-02-9.webp)
3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
TL;DR: 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294658-02-9) is a chemical compound with molecular formula C16H11Cl5N4O3S and molecular weight 513.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide
Also Known As: 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide, 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide, 3-nitro-N-[2,2,2-trichloro-1-({[(2,4-dichlorophenyl)amino]carbonothioyl}amino)ethyl]benzamide, 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichloroanilino)carbothioyl]amino}ethyl)benzamide, 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)thiocarbamoylamino]ethyl]benzamide
| Molecular Formula | C16H11Cl5N4O3S |
|---|---|
| Molecular Weight | 513.90 g/mol |
| LogP | 5.3143 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.8995 |
| Heavy Atoms | 29 |
| Complexity | 954.39276 |
Chemical Identifiers
| CAS Number | 294658-02-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide (CAS 294658-02-9), with molecular formula C16H11Cl5N4O3S and molecular weight 513.90 g/mol. IUPAC: 3-nitro-N-[2,2,2-trichloro-1-[(2,4-dichlorophenyl)carbamothioylamino]ethyl]benzamide.
Chemical Property Profile of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
Property Insights of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide
The XLogP value of 5.3143 indicates that 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]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 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide. Following Lipinski's Rule of Five, 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]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 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide?
The CAS number of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide is 294658-02-9.
What is the molecular formula of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular formula of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide is C16H11Cl5N4O3S.
What is the molecular weight of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide?
The molecular weight of 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide is 513.90 g/mol.
Where can I buy 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide?
You can request a quote for 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)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 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-N-(2,2,2-trichloro-1-{[(2,4-dichlorophenyl)carbamothioyl]amino}ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.