RefChem:282178
TL;DR: RefChem:282178 (CAS 114878-44-3) is a chemical compound with molecular formula C9H16ClNO2 and molecular weight 205.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
Also Known As: 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-ethyl-, methyl ester, hydrochloride, Methyl 1,2,5,6-tetrahydro-1-ethyl-3-pyridinecarboxylate hydrochloride, methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate hydrochloride, methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate,hydrochloride, Methyl 1-ethyl-1,2,5,6-tetrahydropyridine-3-carboxylate--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C9H16ClNO2 |
| Molecular Weight | 205.08696 g/mol |
| XLogP | 1.2332 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.08696 Da |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
| SMILES | CCN1CCC=C(C1)C(=O)OC.Cl |
| InChIKey | RVIFACSYNHMHAC-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:282178
Property Insights of RefChem:282178
The XLogP value of 1.2332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:282178. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:282178 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:282178 has 1 hydrogen bond donor(s) and 3 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:282178?
The CAS number of RefChem:282178 is 114878-44-3.
What is the molecular formula of RefChem:282178?
The molecular formula of RefChem:282178 is C9H16ClNO2.
What is the molecular weight of RefChem:282178?
The molecular weight of RefChem:282178 is 205.08696 g/mol.
Where can I buy RefChem:282178?
You can request a quote for RefChem:282178 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:282178?
Yes, CoreyChem provides custom synthesis services for RefChem:282178 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.