Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate
TL;DR: Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate (CAS 53244-10-3) is a chemical compound with molecular formula C14H20N2O3S and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (1Z)-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidate
Also Known As: Et-Tspc, Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate, ethylN- -1-pyrrolidinecarboximidate, Pyrrolidino-ameisensaeure-aethylester-tosylimid, Ethyl N-((4-methylphenyl)sulfonyl)-1-pyrrolidinecarboximidate
| Molecular Formula | C14H20N2O3S |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 2.17202 |
| Topological Polar Surface Area | 58.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.11948 |
| Heavy Atoms | 20 |
| Complexity | 572.9415 |
Chemical Identifiers
| CAS Number | 53244-10-3 |
|---|---|
| SMILES | CCO/C(=N\S(=O)(=O)C1=CC=C(C=C1)C)/N2CCCC2 |
Product Overview
Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate (CAS 53244-10-3), with molecular formula C14H20N2O3S and molecular weight 296.12 g/mol. IUPAC: ethyl (1Z)-N-(4-methylphenyl)sulfonylpyrrolidine-1-carboximidate.
Chemical Property Profile of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate
Property Insights of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate
The XLogP value of 2.17202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate. With a topological polar surface area (TPSA) of 58.97 Ų, Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate has 0 hydrogen bond donor(s) and 3 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 N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate?
The CAS number of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate is 53244-10-3.
What is the molecular formula of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate?
The molecular formula of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate is C14H20N2O3S.
What is the molecular weight of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate?
The molecular weight of Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate is 296.12 g/mol.
Where can I buy Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate?
You can request a quote for Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(4-tolylsulfonyl)-1-pyrrolidinecarboximidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.