RefChem:1066450
TL;DR: RefChem:1066450 (CAS 69782-43-0) is a chemical compound with molecular formula C16H25ClN2O2 and molecular weight 312.16046 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride
Also Known As: NICOTINIC ACID, 3-(2,6-DIMETHYLPIPERIDINO)PROPYL ESTER, HYDROCHLORIDE, 3-Pyridinecarboxylic acid, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride, 3-(2,6-dimethylpiperidin-1-ium-1-yl)propyl pyridine-3-carboxylate chloride, 3-(2,6-Dimethylpiperidin-1-yl)propyl pyridine-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C16H25ClN2O2 |
| Molecular Weight | 312.16046 g/mol |
| XLogP | -1.52 |
| Topological Polar Surface Area (TPSA) | 43.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.16046 Da |
| Heavy Atoms | 21 |
| Complexity | 299.0 |
| SMILES | CC1CCCC([NH+]1CCCOC(=O)C2=CN=CC=C2)C.[Cl-] |
| InChIKey | CZZWJIAMGODAJF-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1066450
Property Insights of RefChem:1066450
The XLogP value of -1.52 indicates that RefChem:1066450 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.6 Ų, RefChem:1066450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066450 has 1 hydrogen bond donor(s) and 4 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:1066450?
The CAS number of RefChem:1066450 is 69782-43-0.
What is the molecular formula of RefChem:1066450?
The molecular formula of RefChem:1066450 is C16H25ClN2O2.
What is the molecular weight of RefChem:1066450?
The molecular weight of RefChem:1066450 is 312.16046 g/mol.
Where can I buy RefChem:1066450?
You can request a quote for RefChem:1066450 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1066450?
Yes, CoreyChem provides custom synthesis services for RefChem:1066450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.