![Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate structure](/static/products/892/892275-51-3.png)
Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate
TL;DR: Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate (CAS 892275-51-3) is a chemical compound with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[benzyl(methyl)carbamothioyl]amino]benzoate
Also Known As: ChemDiv3_008415, ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate, IDI1_026325, Ethyl 2-(3-benzyl-3-methylthioureido)benzoate, ethyl 2-[[benzyl(methyl)carbamothioyl]amino]benzoate
| Molecular Formula | C18H20N2O2S |
|---|---|
| Molecular Weight | 328.12 g/mol |
| LogP | 3.6921 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.12454 |
| Heavy Atoms | 23 |
| Complexity | 673.7316 |
Chemical Identifiers
| CAS Number | 892275-51-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=S)N(C)CC2=CC=CC=C2 |
Product Overview
Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate (CAS 892275-51-3), with molecular formula C18H20N2O2S and molecular weight 328.12 g/mol. IUPAC: ethyl 2-[[benzyl(methyl)carbamothioyl]amino]benzoate.
Chemical Property Profile of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate
Property Insights of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate
The XLogP value of 3.6921 indicates that Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}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-{[benzyl(methyl)carbamothioyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate has 1 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 Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate?
The CAS number of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate is 892275-51-3.
What is the molecular formula of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate?
The molecular formula of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate is C18H20N2O2S.
What is the molecular weight of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate?
The molecular weight of Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate is 328.12 g/mol.
Where can I buy Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate?
You can request a quote for Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}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-{[benzyl(methyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-{[benzyl(methyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.