N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
TL;DR: N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine (CAS 162713-22-6) is a chemical compound with molecular formula C12H15NO3S and molecular weight 253.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Also Known As: 5-Isopropylaminoamylamine, (1,1-Dioxo-2,3-dihydro-1H-1lambda*6*-thiophen-3-yl)-(4-ethoxy-phenyl)-amine, BAS 07326438, N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine, (1,1-Dioxo-2,3-dihydro-1H-thiophen-3-yl)-(4-ethoxy-phenyl)-amine
Technical Specifications
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.07727 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 63.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.07727 Da |
| Heavy Atoms | 17 |
| Complexity | 364.0 |
| SMILES | CCOC1=CC=C(C=C1)NC2CS(=O)(=O)C=C2 |
| InChIKey | WKRPRTLRGCCUJW-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
Property Insights of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine. The TPSA of 63.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine. Following Lipinski's Rule of Five, N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The CAS number of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 162713-22-6.
What is the molecular formula of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular formula of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is C12H15NO3S.
What is the molecular weight of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
The molecular weight of N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine is 253.07727 g/mol.
Where can I buy N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
You can request a quote for N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine?
Yes, CoreyChem provides custom synthesis services for N-(4-ethoxyphenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.