![Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate structure](/static/products/3029/302948-90-9.webp)
Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
TL;DR: Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate (CAS 302948-90-9) is a chemical compound with molecular formula C13H15NO4S and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
Also Known As: BIM-0013519.P001, ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate, Ethyl 3-[(2,3-dihydro-1,1-dioxido-3-thienyl)amino]benzoate, ethyl 3-[(1,1-dioxido-2,3-dihydro-3-thienyl)amino]benzoate, Ethyl 3-[(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)amino]benzoate
| Molecular Formula | C13H15NO4S |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 1.5859 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.07217 |
| Heavy Atoms | 19 |
| Complexity | 606.82416 |
Chemical Identifiers
| CAS Number | 302948-90-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC2CS(=O)(=O)C=C2 |
Product Overview
Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate (CAS 302948-90-9), with molecular formula C13H15NO4S and molecular weight 281.07 g/mol. IUPAC: ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate.
Chemical Property Profile of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
Property Insights of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate
The XLogP value of 1.5859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate has 1 hydrogen bond donor(s) and 5 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 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate?
The CAS number of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate is 302948-90-9.
What is the molecular formula of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate?
The molecular formula of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate is C13H15NO4S.
What is the molecular weight of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate?
The molecular weight of Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate is 281.07 g/mol.
Where can I buy Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate?
You can request a quote for Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)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 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.