![1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester structure](/static/products/380/380593-99-7.png)
1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester
TL;DR: 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester (CAS 380593-99-7) is a chemical compound with molecular formula C23H21ClN2O6S and molecular weight 488.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate
Also Known As: 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester, methyl 1-(3-(4-chlorophenylsulfonamido)-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate, methyl 1-(3-{[(4-chlorophenyl)sulfonyl]amino}-1,4-dioxo-1,4-dihydronaphthalen-2-yl)piperidine-4-carboxylate, methyl 1-[(3Z)-3-{[(4-chlorophenyl)sulfonyl]imino}-1-hydroxy-4-oxo-3,4-dihydronaphthalen-2-yl]piperidine-4-carboxylate, Methyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxo-naphthalen-2-yl]piperidine-4-carboxylate
| Molecular Formula | C23H21ClN2O6S |
|---|---|
| Molecular Weight | 488.08 g/mol |
| LogP | 2.7941 |
| Topological Polar Surface Area | 109.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.08087 |
| Heavy Atoms | 33 |
| Complexity | 1262.1117 |
Chemical Identifiers
| CAS Number | 380593-99-7 |
|---|---|
| SMILES | COC(=O)C1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester (CAS 380593-99-7), with molecular formula C23H21ClN2O6S and molecular weight 488.08 g/mol. IUPAC: methyl 1-[3-[(4-chlorophenyl)sulfonylamino]-1,4-dioxonaphthalen-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester
Property Insights of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester
The XLogP value of 2.7941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester. The TPSA of 109.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester has 1 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 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester?
The CAS number of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester is 380593-99-7.
What is the molecular formula of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester?
The molecular formula of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester is C23H21ClN2O6S.
What is the molecular weight of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester?
The molecular weight of 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester is 488.08 g/mol.
Where can I buy 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester?
You can request a quote for 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(4-Chloro-benzenesulfonylamino)-1,4-dioxo-1,4-dihydro-naphthalen-2-yl]-piperidine-4-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.