Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate
TL;DR: Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate (CAS 865656-86-6) is a chemical compound with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[benzyl(2-phenylethyl)carbamothioyl]amino]benzoate
Also Known As: ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate, ethyl 2-{[benzyl(2-phenylethyl)carbamothioyl]amino}benzoate, ethyl 2-[[benzyl(phenethyl)carbamothioyl]amino]benzoate, F1601-0242, ethyl 2-[[benzyl(2-phenylethyl)carbamothioyl]amino]benzoate
| Molecular Formula | C25H26N2O2S |
|---|---|
| Molecular Weight | 418.17 g/mol |
| LogP | 5.305 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.1715 |
| Heavy Atoms | 30 |
| Complexity | 961.1522 |
Chemical Identifiers
| CAS Number | 865656-86-6 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=S)N(CCC2=CC=CC=C2)CC3=CC=CC=C3 |
Product Overview
Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate (CAS 865656-86-6), with molecular formula C25H26N2O2S and molecular weight 418.17 g/mol. IUPAC: ethyl 2-[[benzyl(2-phenylethyl)carbamothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate
Property Insights of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate
The XLogP value of 5.305 indicates that Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate?
The CAS number of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate is 865656-86-6.
What is the molecular formula of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate?
The molecular formula of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate is C25H26N2O2S.
What is the molecular weight of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate?
The molecular weight of Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate is 418.17 g/mol.
Where can I buy Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate?
You can request a quote for Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-benzyl-3-phenethylthioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.