![Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester structure](/static/products/109/1094216-27-9.png)
Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
TL;DR: Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1094216-27-9) is a chemical compound with molecular formula C16H22ClNO4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-piperidin-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate;hydrochloride
Also Known As: 1-piperidin-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate hydrochloride, Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester, 1-(piperidin-1-yl)propan-2-yl benzo[d][1,3]dioxole-5-carboxylate hydrochloride, REGID_for_CID_2911213
| Molecular Formula | C16H22ClNO4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.8683 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.12375 |
| Heavy Atoms | 22 |
| Complexity | 516.8673 |
Chemical Identifiers
| CAS Number | 1094216-27-9 |
|---|---|
| SMILES | CC(CN1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3.Cl |
Product Overview
Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester (CAS 1094216-27-9), with molecular formula C16H22ClNO4 and molecular weight 327.12 g/mol. IUPAC: 1-piperidin-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate;hydrochloride.
Chemical Property Profile of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
Property Insights of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
The XLogP value of 2.8683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester. With a topological polar surface area (TPSA) of 48.0 Ų, Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester 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 Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The CAS number of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 1094216-27-9.
What is the molecular formula of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular formula of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester is C16H22ClNO4.
What is the molecular weight of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
The molecular weight of Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester is 327.12 g/mol.
Where can I buy Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
You can request a quote for Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.