![(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid structure](/static/products/503/50335-97-2.png)
(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid
TL;DR: (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid (CAS 50335-97-2) is a chemical compound with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetic acid
Also Known As: ChemDiv2_007400, IDI1_006115, (1-oxo-1H-[1,2,4]triazino[4,5-a]indol-2-yl)-acetic acid, 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetic acid, (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid
| Molecular Formula | C12H9N3O3 |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 0.7338 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.06439 |
| Heavy Atoms | 18 |
| Complexity | 816.1522 |
Chemical Identifiers
| CAS Number | 50335-97-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3N2C=NN(C3=O)CC(=O)O |
Product Overview
(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid (CAS 50335-97-2), with molecular formula C12H9N3O3 and molecular weight 243.06 g/mol. IUPAC: 2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetic acid.
Chemical Property Profile of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid
Property Insights of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid
The XLogP value of 0.7338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid. Following Lipinski's Rule of Five, (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid has 1 hydrogen bond donor(s) and 3 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 (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid?
The CAS number of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid is 50335-97-2.
What is the molecular formula of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid?
The molecular formula of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid is C12H9N3O3.
What is the molecular weight of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid?
The molecular weight of (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid is 243.06 g/mol.
Where can I buy (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid?
You can request a quote for (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.