4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate
TL;DR: 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate (CAS 113559-58-3) is a chemical compound with molecular formula C20H28N2O6S3 and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonic acid;N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Also Known As: 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate, Methanesulfonamide, N-(4-((1-(2-(2-thienyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-, monomethanesulfonate, methanesulfonic acid; N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide, methanesulfonic acid,N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide, Methanesulfonic acid--N-(4-{1-[2-(thiophen-2-yl)ethyl]piperidine-4-carbonyl}phenyl)methanesulfonamide (1/1)
| Molecular Formula | C20H28N2O6S3 |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 2.761 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.11096 |
| Heavy Atoms | 31 |
| Complexity | 1032.8446 |
Chemical Identifiers
| CAS Number | 113559-58-3 |
|---|---|
| SMILES | CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=CS3.CS(=O)(=O)O |
Product Overview
4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate (CAS 113559-58-3), with molecular formula C20H28N2O6S3 and molecular weight 488.11 g/mol. IUPAC: methanesulfonic acid;N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide.
Chemical Property Profile of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate
Property Insights of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate
The XLogP value of 2.761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate. Following Lipinski's Rule of Five, 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate has 2 hydrogen bond donor(s) and 7 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 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate?
The CAS number of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate is 113559-58-3.
What is the molecular formula of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate?
The molecular formula of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate is C20H28N2O6S3.
What is the molecular weight of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate?
The molecular weight of 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate is 488.11 g/mol.
Where can I buy 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate?
You can request a quote for 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylsulfonylaminobenzoyl)-1-(2-(2-thienyl)ethyl)piperidine methylsulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.