BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate
TL;DR: BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate (CAS 303062-40-0) is a chemical compound with molecular formula C22H24Cl3N3O3S and molecular weight 515.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoate
Also Known As: BIM-0031613.P001, BU 4-((((2,2,2-TRI-CL-1-((PHENYLACETYL)AMINO)ET)AMINO)CARBOTHIOYL)AMINO)BENZOATE, butyl 4-{[({2,2,2-trichloro-1-[(phenylacetyl)amino]ethyl}amino)carbonothioyl]amino}benzoate, butyl 4-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoate, 661-105-0
| Molecular Formula | C22H24Cl3N3O3S |
|---|---|
| Molecular Weight | 515.06 g/mol |
| LogP | 4.9851 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.0604 |
| Heavy Atoms | 32 |
| Complexity | 906.1322 |
Chemical Identifiers
| CAS Number | 303062-40-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)CC2=CC=CC=C2 |
Product Overview
BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate (CAS 303062-40-0), with molecular formula C22H24Cl3N3O3S and molecular weight 515.06 g/mol. IUPAC: butyl 4-[[2,2,2-trichloro-1-[(2-phenylacetyl)amino]ethyl]carbamothioylamino]benzoate.
Chemical Property Profile of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate
Property Insights of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate
The XLogP value of 4.9851 indicates that BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate. Following Lipinski's Rule of Five, BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate 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 BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate?
The CAS number of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate is 303062-40-0.
What is the molecular formula of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate?
The molecular formula of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate is C22H24Cl3N3O3S.
What is the molecular weight of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate?
The molecular weight of BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate is 515.06 g/mol.
Where can I buy BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate?
You can request a quote for BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for BU 4-((((2,2,2-Tri-CL-1-((phenylacetyl)amino)ET)amino)carbothioyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.