![ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate structure](/static/products/5480/54805-45-7.webp)
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate (CAS 54805-45-7) is a chemical compound with molecular formula C22H29NO6S2 and molecular weight 467.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate, Ethyl 2-[N-(4-ethoxy-4-oxobutyl)-4-methylbenzene-1-sulfonamido]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C22H29NO6S2 |
|---|---|
| Molecular Weight | 467.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 467.14362 |
| Heavy Atoms | 31 |
| Complexity | 699.0 |
Chemical Identifiers
| CAS Number | 54805-45-7 |
|---|---|
| SMILES | CCOC(=O)CCCN(C1=C(C(=C(S1)C)C)C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | JSQBFCFVACMYKC-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate (CAS 54805-45-7), with molecular formula C22H29NO6S2 and molecular weight 467.14 g/mol. IUPAC: ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.5 indicates that ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate 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-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate 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-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate is 54805-45-7.
What is the molecular formula of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate is C22H29NO6S2.
What is the molecular weight of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate is 467.14 g/mol.
Where can I buy ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.