Ethyl 1-benzylsulfonylpiperidine-4-carboxylate
TL;DR: Ethyl 1-benzylsulfonylpiperidine-4-carboxylate (CAS 326902-56-1) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzylsulfonylpiperidine-4-carboxylate
Also Known As: ethyl 1-benzylsulfonylpiperidine-4-carboxylate, BAS 00628837, ethyl 1-(benzylsulfonyl)piperidine-4-carboxylate, ethyl 1-[benzylsulfonyl]piperidine-4-carboxylate, 1-Phenylmethanesulfonyl-piperidine-4-carboxylic acid ethyl ester
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 326902-56-1 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2 |
| InChIKey | URGBJRGVMRFPRK-UHFFFAOYSA-N |
Product Overview
Ethyl 1-benzylsulfonylpiperidine-4-carboxylate (CAS 326902-56-1), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: ethyl 1-benzylsulfonylpiperidine-4-carboxylate.
Chemical Property Profile of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate
Property Insights of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-benzylsulfonylpiperidine-4-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-benzylsulfonylpiperidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-benzylsulfonylpiperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 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-benzylsulfonylpiperidine-4-carboxylate?
The CAS number of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate is 326902-56-1.
What is the molecular formula of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate?
The molecular formula of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate is C15H21NO4S.
What is the molecular weight of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate?
The molecular weight of Ethyl 1-benzylsulfonylpiperidine-4-carboxylate is 311.12 g/mol.
Where can I buy Ethyl 1-benzylsulfonylpiperidine-4-carboxylate?
You can request a quote for Ethyl 1-benzylsulfonylpiperidine-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-benzylsulfonylpiperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-benzylsulfonylpiperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.