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Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
TL;DR: Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate (CAS 392324-09-3) is a chemical compound with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate
Also Known As: ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate, ethyl 4-(4-((3,5-dimethylpiperidin-1-yl)sulfonyl)benzamido)benzoate, ethyl 4-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate, F0440-0289, Ethyl 4-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]benzoyl]amino]benzoate
| Molecular Formula | C23H28N2O5S |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 3.7822 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.1719 |
| Heavy Atoms | 31 |
| Complexity | 1022.6414 |
Chemical Identifiers
| CAS Number | 392324-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C |
Product Overview
Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate (CAS 392324-09-3), with molecular formula C23H28N2O5S and molecular weight 444.17 g/mol. IUPAC: ethyl 4-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
Property Insights of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate
The XLogP value of 3.7822 indicates that Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate has 1 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 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate?
The CAS number of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate is 392324-09-3.
What is the molecular formula of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate?
The molecular formula of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate is C23H28N2O5S.
What is the molecular weight of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate?
The molecular weight of Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate is 444.17 g/mol.
Where can I buy Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate?
You can request a quote for Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{4-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzamido}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.