beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid
TL;DR: beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid (CAS 53304-46-4) is a chemical compound with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid
Also Known As: triazolopropionic acid, 3-{3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}propanoic acid, 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid, 3-Oxo-1,2,4-triazolo[4,3-a]pyridine-2(3H)-propanoic acid, TRIAZOLOPYRIDINONE-PROPIONIC ACID
| Molecular Formula | C9H9N3O3 |
|---|---|
| Molecular Weight | 207.06 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.06439 |
| Heavy Atoms | 15 |
| Complexity | 397.0 |
Chemical Identifiers
| CAS Number | 53304-46-4 |
|---|---|
| SMILES | C1=CC2=NN(C(=O)N2C=C1)CCC(=O)O |
| InChIKey | DXVGDKXFBVHCCE-UHFFFAOYSA-N |
Product Overview
beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid (CAS 53304-46-4), with molecular formula C9H9N3O3 and molecular weight 207.06 g/mol. IUPAC: 3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoic acid.
Chemical Property Profile of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid
Property Insights of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid
The XLogP value of -0.3 indicates that beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid. Following Lipinski's Rule of Five, beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid has 1 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 beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid?
The CAS number of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid is 53304-46-4.
What is the molecular formula of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid?
The molecular formula of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid is C9H9N3O3.
What is the molecular weight of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid?
The molecular weight of beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid is 207.06 g/mol.
Where can I buy beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid?
You can request a quote for beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for beta-(3-Oxo-s-triazolo)-(4,3a)-pyridin-2-yl-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.