Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate
TL;DR: Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 5411-17-6) is a chemical compound with molecular formula C20H25NO6S2 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate, ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino, ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate, ethyl 4-ethyl-5-methyl-2-{[(4-methylphenyl)sulfonyl]amino}thiophene-3-carboxylate, 3-Thiophenecarboxylic acid, 2-[(2-ethoxy-2-oxoethyl)[(4-methylphenyl)sulfonyl]amino]-4,5-dimethyl-, ethyl ester
| Molecular Formula | C20H25NO6S2 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 439.11234 |
| Heavy Atoms | 29 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 5411-17-6 |
|---|---|
| SMILES | CCOC(=O)CN(C1=C(C(=C(S1)C)C)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | KMXJUNAXSPBADZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate (CAS 5411-17-6), with molecular formula C20H25NO6S2 and molecular weight 439.11 g/mol. IUPAC: ethyl 2-[(2-ethoxy-2-oxoethyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate
Property Insights of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate
The XLogP value of 4.3 indicates that Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate has 0 hydrogen bond donor(s) and 8 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-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate?
The CAS number of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate is 5411-17-6.
What is the molecular formula of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular formula of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate is C20H25NO6S2.
What is the molecular weight of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate?
The molecular weight of Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate is 439.11 g/mol.
Where can I buy Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate?
You can request a quote for Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((2-ethoxy-2-oxoethyl)((4-methylphenyl)sulfonyl)amino)-4,5-dimethyl-3-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.