Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
TL;DR: Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CAS 212770-54-2) is a chemical compound with molecular formula C22H27NO5S and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
Also Known As: 6X-0961, ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate, ethyl 1-benzyl-4-(4-methoxybenzenesulfonyl)piperidine-4-carboxylate, ethyl 1-benzyl-4-[(4-methoxyphenyl)sulfonyl]-4-piperidinecarboxylate, Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonyl-piperidine-4-carboxylate
| Molecular Formula | C22H27NO5S |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 3.0668 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.16098 |
| Heavy Atoms | 29 |
| Complexity | 917.4348 |
Chemical Identifiers
| CAS Number | 212770-54-2 |
|---|---|
| SMILES | CCOC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OC |
Product Overview
Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate (CAS 212770-54-2), with molecular formula C22H27NO5S and molecular weight 417.16 g/mol. IUPAC: ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
Property Insights of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
The XLogP value of 3.0668 indicates that Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate has 0 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 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The CAS number of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is 212770-54-2.
What is the molecular formula of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The molecular formula of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is C22H27NO5S.
What is the molecular weight of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
The molecular weight of Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate is 417.16 g/mol.
Where can I buy Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
You can request a quote for Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzyl-4-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.