Ethyl 4-(3-benzoylthioureido)benzoate
TL;DR: Ethyl 4-(3-benzoylthioureido)benzoate (CAS 6944-76-9) is a chemical compound with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzoylcarbamothioylamino)benzoate
Also Known As: Maybridge1_006890, Ethyl 4-(3-benzoylthioureido)benzoate, ethyl 4-(benzoylcarbamothioylamino)benzoate, ethyl 4-[(benzoylcarbamothioyl)amino]benzoate, ethyl 4-{[(benzoylamino)carbothioyl]amino}benzoate
| Molecular Formula | C17H16N2O3S |
|---|---|
| Molecular Weight | 328.09 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.08817 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 6944-76-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2 |
| InChIKey | UGLKNRLHRREZKD-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(3-benzoylthioureido)benzoate (CAS 6944-76-9), with molecular formula C17H16N2O3S and molecular weight 328.09 g/mol. IUPAC: ethyl 4-(benzoylcarbamothioylamino)benzoate.
Chemical Property Profile of Ethyl 4-(3-benzoylthioureido)benzoate
Property Insights of Ethyl 4-(3-benzoylthioureido)benzoate
The XLogP value of 3.7 indicates that Ethyl 4-(3-benzoylthioureido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(3-benzoylthioureido)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(3-benzoylthioureido)benzoate has 2 hydrogen bond donor(s) and 4 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 4-(3-benzoylthioureido)benzoate?
The CAS number of Ethyl 4-(3-benzoylthioureido)benzoate is 6944-76-9.
What is the molecular formula of Ethyl 4-(3-benzoylthioureido)benzoate?
The molecular formula of Ethyl 4-(3-benzoylthioureido)benzoate is C17H16N2O3S.
What is the molecular weight of Ethyl 4-(3-benzoylthioureido)benzoate?
The molecular weight of Ethyl 4-(3-benzoylthioureido)benzoate is 328.09 g/mol.
Where can I buy Ethyl 4-(3-benzoylthioureido)benzoate?
You can request a quote for Ethyl 4-(3-benzoylthioureido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(3-benzoylthioureido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(3-benzoylthioureido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.