RefChem:326994
TL;DR: RefChem:326994 (CAS 54112-81-1) is a chemical compound with molecular formula C19H28ClNO9 and molecular weight 449.14526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-chloropropyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: Benzoic acid, 3,4,5-trimethoxy-, 2-((3-chloropropyl)ethylamino)ethyl ester, oxalate, 3,4,5-Trimethoxybenzoic acid 2-((3-chloropropyl)ethylamino)ethyl ester oxalate, 3-chloropropyl-ethyl-[2-(3,4,5-trimethoxybenzoyl)oxyethyl]azanium; 2-hydroxy-2-oxoacetate, 3-Chloro-N-ethyl-N-{2-[(3,4,5-trimethoxybenzoyl)oxy]ethyl}propan-1-aminium hydrogen ethanedioate
Technical Specifications
| Molecular Formula | C19H28ClNO9 |
| Molecular Weight | 449.14526 g/mol |
| XLogP | -0.78 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 449.14526 Da |
| Heavy Atoms | 30 |
| Complexity | 422.0 |
| SMILES | CC[NH+](CCCCl)CCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C(=O)(C(=O)[O-])O |
| InChIKey | BZRMPLXAEATOGI-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:326994
Property Insights of RefChem:326994
The XLogP value of -0.78 indicates that RefChem:326994 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:326994. Following Lipinski's Rule of Five, RefChem:326994 has 2 hydrogen bond donor(s) and 9 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:326994?
The CAS number of RefChem:326994 is 54112-81-1.
What is the molecular formula of RefChem:326994?
The molecular formula of RefChem:326994 is C19H28ClNO9.
What is the molecular weight of RefChem:326994?
The molecular weight of RefChem:326994 is 449.14526 g/mol.
Where can I buy RefChem:326994?
You can request a quote for RefChem:326994 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:326994?
Yes, CoreyChem provides custom synthesis services for RefChem:326994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.