6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid
TL;DR: 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid (CAS 502133-50-8) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,4-diazepan-1-yl)pyridine-3-carboxylic acid
Also Known As: 6-(1,4-diazepan-1-yl)pyridine-3-carboxylic Acid, 6-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)nicotinic acid, 6-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]py
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.5795 |
| Topological Polar Surface Area | 65.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 355.99734 |
Chemical Identifiers
| CAS Number | 502133-50-8 |
|---|---|
| SMILES | C1CNCCN(C1)C2=NC=C(C=C2)C(=O)O |
Product Overview
6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid (CAS 502133-50-8), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 6-(1,4-diazepan-1-yl)pyridine-3-carboxylic acid.
Chemical Property Profile of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid
Property Insights of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid
The XLogP value of 0.5795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid. The TPSA of 65.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid?
The CAS number of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid is 502133-50-8.
What is the molecular formula of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid?
The molecular formula of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid is C11H15N3O2.
What is the molecular weight of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid?
The molecular weight of 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid is 221.12 g/mol.
Where can I buy 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid?
You can request a quote for 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(1,4-Diazepan-1-yl)pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.