Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate
TL;DR: Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate (CAS 356550-82-8) is a chemical compound with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate
Also Known As: BAS 03077426, ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate, N-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-succinamic acid ethyl ester, AN-329/40688436, ethyl 4-oxo-4-((4-(pyrrolidin-1-ylsulfonyl)phenyl)amino)butanoate
| Molecular Formula | C16H22N2O5S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 354.12494 |
| Heavy Atoms | 24 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 356550-82-8 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2 |
| InChIKey | ILPDWOWZFYYAMC-UHFFFAOYSA-N |
Product Overview
Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate (CAS 356550-82-8), with molecular formula C16H22N2O5S and molecular weight 354.12 g/mol. IUPAC: ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate.
Chemical Property Profile of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate
Property Insights of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate. Following Lipinski's Rule of Five, Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate 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 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate?
The CAS number of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate is 356550-82-8.
What is the molecular formula of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate?
The molecular formula of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate is C16H22N2O5S.
What is the molecular weight of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate?
The molecular weight of Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate is 354.12 g/mol.
Where can I buy Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate?
You can request a quote for Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.