RefChem:217887
TL;DR: RefChem:217887 (CAS 100310-86-9) is a chemical compound with molecular formula C22H32ClNO10 and molecular weight 505.17148 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium
Also Known As: 1,3-Benzodioxole, 5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-, citrate, 5-Chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-1,3-benzodioxole citrate, 1,3-Benzodioxole,5-chloro-2-(2-(2-(diethylamino)ethoxy)ethyl)-2-methyl-,citrate, 3-carboxy-4-hydroxy-3-(hydroxymethyl)-4-oxobutanoate;2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl-diethylazanium, 2-[2-(5-chloro-2-methyl-1,3-benzodioxol-2-yl)ethoxy]-n,n-diethylethanaminium 3,3-dicarboxy-4-hydroxybutanoate
Technical Specifications
| Molecular Formula | C22H32ClNO10 |
| Molecular Weight | 505.17148 g/mol |
| XLogP | -0.57 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 505.17148 Da |
| Heavy Atoms | 34 |
| Complexity | 538.0 |
| SMILES | CC[NH+](CC)CCOCCC1(OC2=C(O1)C=C(C=C2)Cl)C.C(C(=O)[O-])C(CO)(C(=O)O)C(=O)O |
| InChIKey | PNGRVXGYHJHJBM-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:217887
Property Insights of RefChem:217887
The XLogP value of -0.57 indicates that RefChem:217887 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting RefChem:217887 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:217887 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 RefChem:217887?
The CAS number of RefChem:217887 is 100310-86-9.
What is the molecular formula of RefChem:217887?
The molecular formula of RefChem:217887 is C22H32ClNO10.
What is the molecular weight of RefChem:217887?
The molecular weight of RefChem:217887 is 505.17148 g/mol.
Where can I buy RefChem:217887?
You can request a quote for RefChem:217887 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:217887?
Yes, CoreyChem provides custom synthesis services for RefChem:217887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.