1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate
TL;DR: 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate (CAS 100310-94-9) is a chemical compound with molecular formula C23H33NO10 and molecular weight 483.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium
Also Known As: 2-Methyl-2-(2-(2-piperidinoethoxy)ethyl)-1,3-benzodioxole citrate, 1,3-BENZODIOXOLE, 2-METHYL-2-(2-(2-PIPERIDINOETHOXY)ETHYL)-, CITRATE, 3-Ethyl-6-methyl-1-(1,4,4,6,6-pentamethylheptyl)pyridinium chloride, 1-{2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl}piperidinium 2,3-dicarboxy-2-(hydroxymethyl)propanoate, 1-{2-[2-(2-Methyl-2H-1,3-benzodioxol-2-yl)ethoxy]ethyl}piperidin-1-ium 2-carboxy-2-(carboxymethyl)-3-hydroxypropanoate
| Molecular Formula | C23H33NO10 |
|---|---|
| Molecular Weight | 483.21 g/mol |
| LogP | -1.08 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.21045 |
| Heavy Atoms | 34 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 100310-94-9 |
|---|---|
| SMILES | CC1(OC2=CC=CC=C2O1)CCOCC[NH+]3CCCCC3.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-] |
| InChIKey | MWIJKPRCZCICPI-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate (CAS 100310-94-9), with molecular formula C23H33NO10 and molecular weight 483.21 g/mol. IUPAC: 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;1-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]piperidin-1-ium.
Chemical Property Profile of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate
Property Insights of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate
The XLogP value of -1.08 indicates that 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate has 4 hydrogen bond donor(s) and 10 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-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate?
The CAS number of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate is 100310-94-9.
What is the molecular formula of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate?
The molecular formula of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate is C23H33NO10.
What is the molecular weight of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate?
The molecular weight of 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate is 483.21 g/mol.
Where can I buy 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate?
You can request a quote for 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole, 2-methyl-2-(2-(2-piperidinoethoxy)ethyl)-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.