RefChem:220076
TL;DR: RefChem:220076 (CAS 100447-56-1) is a chemical compound with molecular formula C23H28ClNO6 and molecular weight 449.16052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-morpholin-4-ium-4-ylethoxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride
Also Known As: 1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(2-morpholinoethoxy)ethyl ester, hydrochloride, (E)-, 2-(2-Morpholin-4-ium-4-ylethoxy)ethyl(2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride, 1,4-BENZODIOXAN-2-CARBOXYLIC ACID, 3-PHENYL-, 2-(2-MORPHOLINOETHOXY)ETHYL ESTER,, 2-(2-morpholin-4-ium-4-ylethoxy)ethyl2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate, 2-(2-morpholin-4-ium-4-ylethoxy)ethyl (2S,3R)-2-phenyl-2,3-dihydro-1,4-benzodioxine-3-carboxylate chloride
Technical Specifications
| Molecular Formula | C23H28ClNO6 |
| Molecular Weight | 449.16052 g/mol |
| XLogP | -1.95 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.16052 Da |
| Heavy Atoms | 31 |
| Complexity | 520.0 |
| SMILES | C1COCC[NH+]1CCOCCOC(=O)[C@H]2[C@@H](OC3=CC=CC=C3O2)C4=CC=CC=C4.[Cl-] |
| InChIKey | OUCUJUQTYSJDGQ-UMIAIAFLSA-N |
Chemical Property Profile of RefChem:220076
Property Insights of RefChem:220076
The XLogP value of -1.95 indicates that RefChem:220076 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:220076. Following Lipinski's Rule of Five, RefChem:220076 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:220076?
The CAS number of RefChem:220076 is 100447-56-1.
What is the molecular formula of RefChem:220076?
The molecular formula of RefChem:220076 is C23H28ClNO6.
What is the molecular weight of RefChem:220076?
The molecular weight of RefChem:220076 is 449.16052 g/mol.
Where can I buy RefChem:220076?
You can request a quote for RefChem:220076 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:220076?
Yes, CoreyChem provides custom synthesis services for RefChem:220076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.