RefChem:217844
TL;DR: RefChem:217844 (CAS 100310-88-1) is a chemical compound with molecular formula C23H35NO11 and molecular weight 501.221 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-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium
Also Known As: 1,3-Benzodioxole, 2-(2-(2-(diethylamino)ethoxy)ethyl)-4-methoxy-2-methyl-, citrate, 2-(2-(2-(Diethylamino)ethoxy)ethyl)-4-methoxy-2-methyl-1,3-benzodioxole citrate, 1,3-Benzodioxole,5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-,citrate, 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate,diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium, 2-carboxy-4-hydroxy-2-(hydroxymethyl)-4-oxobutanoate; diethyl-[2-[2-(4-methoxy-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]azanium
Technical Specifications
| Molecular Formula | C23H35NO11 |
| Molecular Weight | 501.221 g/mol |
| XLogP | -1.21 |
| Topological Polar Surface Area (TPSA) | 176.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 13 |
| Exact Mass | 501.221 Da |
| Heavy Atoms | 35 |
| Complexity | 564.0 |
| SMILES | CC[NH+](CC)CCOCCC1(OC2=C(O1)C(=CC=C2)OC)C.C(C(=O)O)C(CO)(C(=O)O)C(=O)[O-] |
| InChIKey | JVQDWHJSONHIIM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:217844
Property Insights of RefChem:217844
The XLogP value of -1.21 indicates that RefChem:217844 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 176.0 Ų indicates high polarity, suggesting RefChem:217844 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217844 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:217844?
The CAS number of RefChem:217844 is 100310-88-1.
What is the molecular formula of RefChem:217844?
The molecular formula of RefChem:217844 is C23H35NO11.
What is the molecular weight of RefChem:217844?
The molecular weight of RefChem:217844 is 501.221 g/mol.
Where can I buy RefChem:217844?
You can request a quote for RefChem:217844 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:217844?
Yes, CoreyChem provides custom synthesis services for RefChem:217844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.