1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate
TL;DR: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate (CAS 100310-90-5) is a chemical compound with molecular formula C27H35NO10 and molecular weight 533.2261 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate;diethyl-[2-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium
Also Known As: 1,3-BENZODIOXOLE, 2-(2-(2-(DIETHYLAMINO)ETHOXY)ETHYL)-2-PHENYL-, CITRATE, 2-(2-(2-(Diethylamino)ethoxy)ethyl)-2-phenyl-1,3-benzodioxole citrate, 3-Ethyl-6-methyl-1-(1,4,4,6,6-pentamethylheptyl)pyridinium chloride, 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium, 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[2-[2-(2-phenyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium
Technical Specifications
| Molecular Formula | C27H35NO10 |
| Molecular Weight | 533.2261 g/mol |
| XLogP | -0.08 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 533.2261 Da |
| Heavy Atoms | 38 |
| Complexity | 605.0 |
| SMILES | CC[NH+](CC)CCOCCC1(OC2=CC=CC=C2O1)C3=CC=CC=C3.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-] |
| InChIKey | QCLGENWSXIGSJC-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate
Property Insights of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate
The XLogP value of -0.08 indicates that 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, 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-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate?
The CAS number of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate is 100310-90-5.
What is the molecular formula of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate?
The molecular formula of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate is C27H35NO10.
What is the molecular weight of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate?
The molecular weight of 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate is 533.2261 g/mol.
Where can I buy 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate?
You can request a quote for 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-2-phenyl-, citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.