2,4-Dioxo-4-pyridin-3-ylbutanoic acid
TL;DR: 2,4-Dioxo-4-pyridin-3-ylbutanoic acid (CAS 394655-14-2) is a chemical compound with molecular formula C9H7NO4 and molecular weight 193.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-4-pyridin-3-ylbutanoic acid
Also Known As: 2,4-dioxo-4-pyridin-3-ylbutanoic acid, 2,4-Dioxo-4-(pyridin-3-yl)butanoic acid, 3-Pyridinebutanoicacid, a,g-dioxo-, 2,4-dioxo-4-(3-pyridyl)butanoic acid, 3-(thiophen-2-yl)isoxazol-5-amine
| Molecular Formula | C9H7NO4 |
|---|---|
| Molecular Weight | 193.04 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.0375 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 394655-14-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)CC(=O)C(=O)O |
| InChIKey | PISWNSJFMUGNKU-UHFFFAOYSA-N |
Product Overview
2,4-Dioxo-4-pyridin-3-ylbutanoic acid (CAS 394655-14-2), with molecular formula C9H7NO4 and molecular weight 193.04 g/mol. IUPAC: 2,4-dioxo-4-pyridin-3-ylbutanoic acid.
Chemical Property Profile of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid
Property Insights of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dioxo-4-pyridin-3-ylbutanoic acid. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dioxo-4-pyridin-3-ylbutanoic acid. Following Lipinski's Rule of Five, 2,4-Dioxo-4-pyridin-3-ylbutanoic 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-Dioxo-4-pyridin-3-ylbutanoic acid?
The CAS number of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid is 394655-14-2.
What is the molecular formula of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid?
The molecular formula of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid is C9H7NO4.
What is the molecular weight of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid?
The molecular weight of 2,4-Dioxo-4-pyridin-3-ylbutanoic acid is 193.04 g/mol.
Where can I buy 2,4-Dioxo-4-pyridin-3-ylbutanoic acid?
You can request a quote for 2,4-Dioxo-4-pyridin-3-ylbutanoic 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-Dioxo-4-pyridin-3-ylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dioxo-4-pyridin-3-ylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.