![Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate structure](/static/products/923/923790-99-2.png)
Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate
TL;DR: Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate (CAS 923790-99-2) is a chemical compound with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
Also Known As: Methyl 2-((4-(azetidine-1-carbonyl)piperidin-1-yl)sulfonyl)benzoate, methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate, methyl 2-[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate, 2-[4-(azetidine-1-carbonyl)piperidino]sulfonylbenzoic acid methyl ester, methyl 2-[[4-(azetidine-1-carbonyl)-1-piperidyl]sulfonyl]benzoate
| Molecular Formula | C17H22N2O5S |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 1.1062 |
| Topological Polar Surface Area | 83.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.12494 |
| Heavy Atoms | 25 |
| Complexity | 764.9978 |
Chemical Identifiers
| CAS Number | 923790-99-2 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)N3CCC3 |
Product Overview
Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate (CAS 923790-99-2), with molecular formula C17H22N2O5S and molecular weight 366.12 g/mol. IUPAC: methyl 2-[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate.
Chemical Property Profile of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate
Property Insights of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate
The XLogP value of 1.1062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate. The TPSA of 83.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate. Following Lipinski's Rule of Five, Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate 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 Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate?
The CAS number of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate is 923790-99-2.
What is the molecular formula of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate?
The molecular formula of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate is C17H22N2O5S.
What is the molecular weight of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate?
The molecular weight of Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate is 366.12 g/mol.
Where can I buy Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate?
You can request a quote for Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[4-(azetidine-1-carbonyl)piperidin-1-yl]sulfonyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.