![2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid structure](/static/products/5021/502133-49-5.webp)
2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid
TL;DR: 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid (CAS 502133-49-5) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
Also Known As: 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid, 2-(4-(tert-Butoxycarbonyl)-1,4-diazepan-1-yl)nicotinic acid, 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic Acid, 3-Amino-5-(2-trifluoromethylphenyl)-2H-pyrazole, 4-(3-Carboxy-pyridin-2-yl)-[1,4]diazepane-1-carboxylic acid tert-butyl ester
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 2.227 |
| Topological Polar Surface Area | 82.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 582.9332 |
Chemical Identifiers
| CAS Number | 502133-49-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCCN(CC1)C2=C(C=CC=N2)C(=O)O |
Product Overview
2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid (CAS 502133-49-5), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepan-1-yl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid
Property Insights of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid
The XLogP value of 2.227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid. The TPSA of 82.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid?
The CAS number of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid is 502133-49-5.
What is the molecular formula of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid?
The molecular formula of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid is C16H23N3O4.
What is the molecular weight of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid?
The molecular weight of 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid is 321.17 g/mol.
Where can I buy 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid?
You can request a quote for 2-{4-[(tert-Butoxy)carbonyl]-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 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{4-[(tert-Butoxy)carbonyl]-1,4-diazepan-1-yl}pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.