![(2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid structure](/static/products/676/676459-30-6.png)
(2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid
TL;DR: (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid (CAS 676459-30-6) is a chemical compound with molecular formula C13H10N4O3S and molecular weight 302.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid
Also Known As: (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid, (E)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-oxoindolin-3-ylidene)acetic acid, (5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-[2-oxo-1,2-dihydro-indol-(3E)-ylidene]-acetic acid, (2E)-2-(2-ketoindolin-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acetic acid, (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-(2-oxo-1H-indol-3-ylidene)acetic acid
| Molecular Formula | C13H10N4O3S |
|---|---|
| Molecular Weight | 302.05 g/mol |
| LogP | 1.65322 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 302.04736 |
| Heavy Atoms | 21 |
| Complexity | 781.2285 |
Chemical Identifiers
| CAS Number | 676459-30-6 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C/2\C3=CC=CC=C3NC2=O)/C(=O)O |
Product Overview
(2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid (CAS 676459-30-6), with molecular formula C13H10N4O3S and molecular weight 302.05 g/mol. IUPAC: (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid.
Chemical Property Profile of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid
Property Insights of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid
The XLogP value of 1.65322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid. Following Lipinski's Rule of Five, (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid has 3 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 (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid?
The CAS number of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid is 676459-30-6.
What is the molecular formula of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid?
The molecular formula of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid is C13H10N4O3S.
What is the molecular weight of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid?
The molecular weight of (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid is 302.05 g/mol.
Where can I buy (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid?
You can request a quote for (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-(2-oxo-1H-indol-3-ylidene)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.