![2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID structure](/static/products/2946/294657-67-3.webp)
2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID
TL;DR: 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID (CAS 294657-67-3) is a chemical compound with molecular formula C17H13Cl3N4O5S and molecular weight 489.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid
Also Known As: 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID, 2-{[({2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl}amino)carbonothioyl]amino}benzoic acid, 2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid, 2-(3-(2,2,2-trichloro-1-(2-nitrobenzamido)ethyl)thioureido)benzoic acid, o-{3-[2,2,2-trichloro-1-(o-nitrobenzylamino)ethyl]thioureido}benzoic acid
| Molecular Formula | C17H13Cl3N4O5S |
|---|---|
| Molecular Weight | 489.97 g/mol |
| LogP | 3.7057 |
| Topological Polar Surface Area | 133.6 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.96722 |
| Heavy Atoms | 30 |
| Complexity | 999.35406 |
Chemical Identifiers
| CAS Number | 294657-67-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2[N+](=O)[O-] |
Product Overview
2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID (CAS 294657-67-3), with molecular formula C17H13Cl3N4O5S and molecular weight 489.97 g/mol. IUPAC: 2-[[2,2,2-trichloro-1-[(2-nitrobenzoyl)amino]ethyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID
Property Insights of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID
The XLogP value of 3.7057 indicates that 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID. Following Lipinski's Rule of Five, 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID has 4 hydrogen bond donor(s) and 5 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-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID?
The CAS number of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID is 294657-67-3.
What is the molecular formula of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID?
The molecular formula of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID is C17H13Cl3N4O5S.
What is the molecular weight of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID?
The molecular weight of 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID is 489.97 g/mol.
Where can I buy 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID?
You can request a quote for 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID?
Yes, KEHONG BIO provides custom synthesis services for 2-[({2,2,2-TRICHLORO-1-[(2-NITROPHENYL)FORMAMIDO]ETHYL}CARBAMOTHIOYL)AMINO]BENZOIC ACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.