2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid
TL;DR: 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid (CAS 173095-01-7) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylic acid
Also Known As: 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid, 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylic acid, 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinicacid, 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)aminonicotinic acid, 2-(2,3-Dihydro-benzo[1,4]dioxin-6-ylamino)-nicotinic acid
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.2946 |
| Topological Polar Surface Area | 80.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 657.3722 |
Chemical Identifiers
| CAS Number | 173095-01-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid (CAS 173095-01-7), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid
Property Insights of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid
The XLogP value of 2.2946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid. The TPSA of 80.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid. Following Lipinski's Rule of Five, 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid has 2 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-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid?
The CAS number of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid is 173095-01-7.
What is the molecular formula of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid?
The molecular formula of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid is C14H12N2O4.
What is the molecular weight of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid?
The molecular weight of 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid is 272.08 g/mol.
Where can I buy 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid?
You can request a quote for 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)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-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)amino)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.