Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 326007-66-3) is a chemical compound with molecular formula C22H28N2O5S2 and molecular weight 464.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: BIM-0031926.P001, ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate, AF-399/13854014, F0818-0041, ETHYL 2-[4-(AZEPANE-1-SULFONYL)BENZAMIDO]-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H28N2O5S2 |
|---|---|
| Molecular Weight | 464.14 g/mol |
| LogP | 4.35864 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.14395 |
| Heavy Atoms | 31 |
| Complexity | 1050.3156 |
Chemical Identifiers
| CAS Number | 326007-66-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3 |
Product Overview
Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate (CAS 326007-66-3), with molecular formula C22H28N2O5S2 and molecular weight 464.14 g/mol. IUPAC: ethyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.35864 indicates that Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate is 326007-66-3.
What is the molecular formula of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate is C22H28N2O5S2.
What is the molecular weight of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate is 464.14 g/mol.
Where can I buy Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-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-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-(azepan-1-ylsulfonyl)benzamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.