1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
TL;DR: 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate (CAS 609791-64-2) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
Also Known As: (2H-1,3-benzodioxol-5-yl)methyl 4-[(4-methylpiperidin-1-yl)sulfonyl]benzoate, 1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate, 1,3-benzodioxol-5-ylmethyl 4-[(4-methyl-1-piperidinyl)sulfonyl]benzoate, 1,3-benzodioxol-5-ylmethyl 4-[(4-methylpiperidin-1-yl)sulfonyl]benzoate, 2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl 4-[(4-methylpiperidyl)sulfonyl]benzoate
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 3.1929 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 994.3314 |
Chemical Identifiers
| CAS Number | 609791-64-2 |
|---|---|
| SMILES | CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C=C3)OCO4 |
Product Overview
1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate (CAS 609791-64-2), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: 1,3-benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate.
Chemical Property Profile of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
Property Insights of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
The XLogP value of 3.1929 indicates that 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate. Following Lipinski's Rule of Five, 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate has 0 hydrogen bond donor(s) and 6 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-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate?
The CAS number of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate is 609791-64-2.
What is the molecular formula of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate?
The molecular formula of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate is C21H23NO6S.
What is the molecular weight of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate?
The molecular weight of 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate is 417.12 g/mol.
Where can I buy 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate?
You can request a quote for 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxol-5-ylmethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.