2-Butoxyethyl 3-pyridinecarboxylate
TL;DR: 2-Butoxyethyl 3-pyridinecarboxylate (CAS 13912-80-6) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butoxyethyl pyridine-3-carboxylate
Also Known As: Nicoboxil, Nicoboxilo, Nicoboxilum, BUTOXYETHYL NICOTINATE, beta-Butoxyethyl nicotinate
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.12085 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 223.12085 Da |
| Heavy Atoms | 16 |
| Complexity | 197.0 |
| SMILES | CCCCOCCOC(=O)C1=CN=CC=C1 |
| InChIKey | IZJRISIINLJVBU-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butoxyethyl 3-pyridinecarboxylate
Property Insights of 2-Butoxyethyl 3-pyridinecarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butoxyethyl 3-pyridinecarboxylate. With a topological polar surface area (TPSA) of 48.4 Ų, 2-Butoxyethyl 3-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butoxyethyl 3-pyridinecarboxylate has 0 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 2-Butoxyethyl 3-pyridinecarboxylate?
The CAS number of 2-Butoxyethyl 3-pyridinecarboxylate is 13912-80-6.
What is the molecular formula of 2-Butoxyethyl 3-pyridinecarboxylate?
The molecular formula of 2-Butoxyethyl 3-pyridinecarboxylate is C12H17NO3.
What is the molecular weight of 2-Butoxyethyl 3-pyridinecarboxylate?
The molecular weight of 2-Butoxyethyl 3-pyridinecarboxylate is 223.12085 g/mol.
Where can I buy 2-Butoxyethyl 3-pyridinecarboxylate?
You can request a quote for 2-Butoxyethyl 3-pyridinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butoxyethyl 3-pyridinecarboxylate?
Yes, CoreyChem provides custom synthesis services for 2-Butoxyethyl 3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.