![(Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid structure](/static/products/328/328070-62-8.png)
(Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid
TL;DR: (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid (CAS 328070-62-8) is a chemical compound with molecular formula C18H11N5O4S and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)prop-2-enoic acid
Also Known As: (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid, (Z)-3-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)prop-2-enoic acid
| Molecular Formula | C18H11N5O4S |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 3.6321 |
| Topological Polar Surface Area | 134.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.05316 |
| Heavy Atoms | 28 |
| Complexity | 1250.0541 |
Chemical Identifiers
| CAS Number | 328070-62-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)S/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/C(=O)O |
Product Overview
(Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid (CAS 328070-62-8), with molecular formula C18H11N5O4S and molecular weight 393.05 g/mol. IUPAC: (Z)-3-(4-nitrophenyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)prop-2-enoic acid.
Chemical Property Profile of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid
Property Insights of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid
The XLogP value of 3.6321 indicates that (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid. Following Lipinski's Rule of Five, (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid has 2 hydrogen bond donor(s) and 7 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 (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid?
The CAS number of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid is 328070-62-8.
What is the molecular formula of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid?
The molecular formula of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid is C18H11N5O4S.
What is the molecular weight of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid?
The molecular weight of (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid is 393.05 g/mol.
Where can I buy (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid?
You can request a quote for (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)-3-(4-nitrophenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.