2-Azepan-1-YL-nicotinic acid
TL;DR: 2-Azepan-1-YL-nicotinic acid (CAS 57203-01-7) is a chemical compound with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)pyridine-3-carboxylic acid
Also Known As: 2-AZEPAN-1-YL-NICOTINIC ACID, 2-(azepan-1-yl)nicotinic acid, 2-(1-Azepanyl)nicotinic acid, 2-(azepan-1-yl)pyridine-3-carboxylic Acid, 2-(azepan-1-yl)nicotinicacid
| Molecular Formula | C12H16N2O2 |
|---|---|
| Molecular Weight | 220.12 g/mol |
| LogP | 2.1602 |
| Topological Polar Surface Area | 53.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.12119 |
| Heavy Atoms | 16 |
| Complexity | 371.03644 |
Chemical Identifiers
| CAS Number | 57203-01-7 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=CC=N2)C(=O)O |
Product Overview
2-Azepan-1-YL-nicotinic acid (CAS 57203-01-7), with molecular formula C12H16N2O2 and molecular weight 220.12 g/mol. IUPAC: 2-(azepan-1-yl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-Azepan-1-YL-nicotinic acid
Property Insights of 2-Azepan-1-YL-nicotinic acid
The XLogP value of 2.1602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azepan-1-YL-nicotinic acid. With a topological polar surface area (TPSA) of 53.43 Ų, 2-Azepan-1-YL-nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azepan-1-YL-nicotinic acid 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
Frequently Asked Questions
What is the CAS number of 2-Azepan-1-YL-nicotinic acid?
The CAS number of 2-Azepan-1-YL-nicotinic acid is 57203-01-7.
What is the molecular formula of 2-Azepan-1-YL-nicotinic acid?
The molecular formula of 2-Azepan-1-YL-nicotinic acid is C12H16N2O2.
What is the molecular weight of 2-Azepan-1-YL-nicotinic acid?
The molecular weight of 2-Azepan-1-YL-nicotinic acid is 220.12 g/mol.
Where can I buy 2-Azepan-1-YL-nicotinic acid?
You can request a quote for 2-Azepan-1-YL-nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Azepan-1-YL-nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Azepan-1-YL-nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.