1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate
TL;DR: 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate (CAS 431925-10-9) is a chemical compound with molecular formula C16H21NO4 and molecular weight 291.15 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
Also Known As: BAS 03335152, 1-(piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate, 1-piperidin-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate, 1-(piperidin-1-yl)propan-2-yl benzo[d][1,3]dioxole-5-carboxylate, Benzo[1,3]dioxole-5-carboxylic acid 1-methyl-2-piperidin-1-yl-ethyl ester
| Molecular Formula | C16H21NO4 |
|---|---|
| Molecular Weight | 291.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.14706 |
| Heavy Atoms | 21 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 431925-10-9 |
|---|---|
| SMILES | CC(CN1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3 |
| InChIKey | CNTPJRFYGTXOIR-UHFFFAOYSA-N |
Product Overview
1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate (CAS 431925-10-9), with molecular formula C16H21NO4 and molecular weight 291.15 g/mol. IUPAC: 1-piperidin-1-ylpropan-2-yl 1,3-benzodioxole-5-carboxylate.
Chemical Property Profile of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate
Property Insights of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate. With a topological polar surface area (TPSA) of 48.0 Ų, 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate 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 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate?
The CAS number of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate is 431925-10-9.
What is the molecular formula of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate?
The molecular formula of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate is C16H21NO4.
What is the molecular weight of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate?
The molecular weight of 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate is 291.15 g/mol.
Where can I buy 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate?
You can request a quote for 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Piperidin-1-yl)propan-2-yl 1,3-benzodioxole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.