![3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid structure](/static/products/2946/294658-21-2.webp)
3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid
TL;DR: 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid (CAS 294658-21-2) is a chemical compound with molecular formula C18H16Cl3N3O3S and molecular weight 459.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoic acid
Also Known As: 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid, 3-(3-(2,2,2-trichloro-1-(2-phenylacetamido)ethyl)thioureido)benzoic acid, 3((((2,2,2-TRI-CL-1-((PHENYLACETYL)AMINO)ET)AMINO)CARBOTHIOYL)AMINO)BENZOIC ACID, 3-({[2,2,2-TRICHLORO-1-(2-PHENYLACETAMIDO)ETHYL]CARBAMOTHIOYL}AMINO)BENZOIC ACID, 3-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoic acid
| Molecular Formula | C18H16Cl3N3O3S |
|---|---|
| Molecular Weight | 459.00 g/mol |
| LogP | 3.7264 |
| Topological Polar Surface Area | 90.46 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.9978 |
| Heavy Atoms | 28 |
| Complexity | 859.8995 |
Chemical Identifiers
| CAS Number | 294658-21-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid (CAS 294658-21-2), with molecular formula C18H16Cl3N3O3S and molecular weight 459.00 g/mol. IUPAC: 3-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid
Property Insights of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid
The XLogP value of 3.7264 indicates that 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid has 4 hydrogen bond donor(s) and 3 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 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid?
The CAS number of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid is 294658-21-2.
What is the molecular formula of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid?
The molecular formula of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid is C18H16Cl3N3O3S.
What is the molecular weight of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid?
The molecular weight of 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid is 459.00 g/mol.
Where can I buy 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid?
You can request a quote for 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]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 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}carbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.