(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
TL;DR: (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid (CAS 102118-00-3) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06439 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
Also Known As: (2S)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid, (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid, (S)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoic acid, 2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoic acid, (2S)-2-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanoicacid
Technical Specifications
| Molecular Formula | C10H9N3O3 |
| Molecular Weight | 219.06439 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 82.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 Da |
| Heavy Atoms | 16 |
| Complexity | 342.0 |
| SMILES | C[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | HWXISOGIRJVVTE-LURJTMIESA-N |
Chemical Property Profile of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
Property Insights of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic 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
What is the CAS number of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid?
The CAS number of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid is 102118-00-3.
What is the molecular formula of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid?
The molecular formula of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid is C10H9N3O3.
What is the molecular weight of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid?
The molecular weight of (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid is 219.06439 g/mol.
Where can I buy (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid?
You can request a quote for (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid?
Yes, CoreyChem provides custom synthesis services for (2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.