(E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
TL;DR: (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 676475-43-7) is a chemical compound with molecular formula C15H13BrN4O3S and molecular weight 407.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid
Also Known As: (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid, (2E)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoate, (2E)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoic acid, (2E)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid, 2-(5-bromo-1-ethyl-2-oxo-indol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic Acid
| Molecular Formula | C15H13BrN4O3S |
|---|---|
| Molecular Weight | 407.99 g/mol |
| LogP | 2.83012 |
| Topological Polar Surface Area | 99.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.98917 |
| Heavy Atoms | 24 |
| Complexity | 877.3542 |
Chemical Identifiers
| CAS Number | 676475-43-7 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)Br)/C(=C(/C(=O)O)\SC3=NNC(=N3)C)/C1=O |
Product Overview
(E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 676475-43-7), with molecular formula C15H13BrN4O3S and molecular weight 407.99 g/mol. IUPAC: (2E)-2-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
Property Insights of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid
The XLogP value of 2.83012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid. The TPSA of 99.18 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid. Following Lipinski's Rule of Five, (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid has 2 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 (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The CAS number of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 676475-43-7.
What is the molecular formula of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular formula of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is C15H13BrN4O3S.
What is the molecular weight of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
The molecular weight of (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid is 407.99 g/mol.
Where can I buy (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
You can request a quote for (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-bromo-1-ethyl-2-oxoindolin-3-ylidene)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.