ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate
TL;DR: ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate (CAS 831231-23-3) is a chemical compound with molecular formula C27H38N2O5S and molecular weight 502.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]piperidine-4-carboxylate
Also Known As: ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate, Ethyl 1-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]acetyl]piperidine-4-carboxylate, ethyl 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]piperidine-4-carboxylate, ethyl 1-{N-(methylsulfonyl)-N-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]glycyl}piperidine-4-carboxylate
| Molecular Formula | C27H38N2O5S |
|---|---|
| Molecular Weight | 502.25 g/mol |
| LogP | 3.7221 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 502.25015 |
| Heavy Atoms | 35 |
| Complexity | 1024.2633 |
Chemical Identifiers
| CAS Number | 831231-23-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C |
Product Overview
ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate (CAS 831231-23-3), with molecular formula C27H38N2O5S and molecular weight 502.25 g/mol. IUPAC: ethyl 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]piperidine-4-carboxylate.
Chemical Property Profile of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate
Property Insights of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate
The XLogP value of 3.7221 indicates that ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate?
The CAS number of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate is 831231-23-3.
What is the molecular formula of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate?
The molecular formula of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate is C27H38N2O5S.
What is the molecular weight of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate?
The molecular weight of ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate is 502.25 g/mol.
Where can I buy ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate?
You can request a quote for ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-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-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(2-(N-(4-(adamantan-1-yl)phenyl)methylsulfonamido)acetyl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.