![2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate structure](/static/products/5357/5357-76-6.webp)
2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate
TL;DR: 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate (CAS 5357-76-6) is a chemical compound with molecular formula C22H24N2O7S and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
Also Known As: 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate, [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
| Molecular Formula | C22H24N2O7S |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 2.0631 |
| Topological Polar Surface Area | 111.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.13043 |
| Heavy Atoms | 32 |
| Complexity | 1093.7625 |
Chemical Identifiers
| CAS Number | 5357-76-6 |
|---|---|
| SMILES | C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4 |
Product Overview
2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate (CAS 5357-76-6), with molecular formula C22H24N2O7S and molecular weight 460.13 g/mol. IUPAC: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate.
Chemical Property Profile of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate
Property Insights of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate
The XLogP value of 2.0631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate. The TPSA of 111.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate. Following Lipinski's Rule of Five, 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate 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 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate?
The CAS number of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate is 5357-76-6.
What is the molecular formula of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate?
The molecular formula of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate is C22H24N2O7S.
What is the molecular weight of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate?
The molecular weight of 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate is 460.13 g/mol.
Where can I buy 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate?
You can request a quote for 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2H-1,3-Benzodioxol-5-yl)methyl]amino}-2-oxoethyl 4-(piperidine-1-sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.