Hemiacetylcarnitinium
TL;DR: Hemiacetylcarnitinium (CAS 104928-58-7) is a chemical compound with molecular formula C9H18ClNO4 and molecular weight 239.09244 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2S,6S)-6-hydroxy-4,4,6-trimethylmorpholin-4-ium-2-yl]acetic acid chloride
Also Known As: Hemiacetylcarnitinium, 6-Carboxymethyl-2-hydroxy-2,4,4-trimethylmorpholinium Cl, 6-carboxymethyl-2-hydroxy-2,4,4-trimethylmorpholinium chloride, 2-[(2S,6S)-6-hydroxy-4,4,6-trimethylmorpholin-4-ium-2-yl]acetic acid chloride, 2-[(2S,6S)-6-hydroxy-4,4,6-trimethylmorpholin-4-ium-2-yl]acetic acid;chloride
Technical Specifications
| Molecular Formula | C9H18ClNO4 |
| Molecular Weight | 239.09244 g/mol |
| XLogP | -3.3512 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.09244 Da |
| Heavy Atoms | 15 |
| Complexity | 241.0 |
| SMILES | C[C@]1(C[N+](C[C@@H](O1)CC(=O)O)(C)C)O.[Cl-] |
| InChIKey | ZDNWCPDGSHXFCB-KUSKTZOESA-N |
Chemical Property Profile of Hemiacetylcarnitinium
Property Insights of Hemiacetylcarnitinium
The XLogP value of -3.3512 indicates that Hemiacetylcarnitinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hemiacetylcarnitinium. Following Lipinski's Rule of Five, Hemiacetylcarnitinium has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hemiacetylcarnitinium?
The CAS number of Hemiacetylcarnitinium is 104928-58-7.
What is the molecular formula of Hemiacetylcarnitinium?
The molecular formula of Hemiacetylcarnitinium is C9H18ClNO4.
What is the molecular weight of Hemiacetylcarnitinium?
The molecular weight of Hemiacetylcarnitinium is 239.09244 g/mol.
Where can I buy Hemiacetylcarnitinium?
You can request a quote for Hemiacetylcarnitinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hemiacetylcarnitinium?
Yes, CoreyChem provides custom synthesis services for Hemiacetylcarnitinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.