![2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid structure](/static/products/861/861241-36-3.png)
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid
TL;DR: 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid (CAS 861241-36-3) is a chemical compound with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enoic acid
Also Known As: 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid, 2-[(5-Methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enoic acid
| Molecular Formula | C12H10N4O4S |
|---|---|
| Molecular Weight | 306.04 g/mol |
| LogP | 2.23912 |
| Topological Polar Surface Area | 122.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.04227 |
| Heavy Atoms | 21 |
| Complexity | 708.3024 |
Chemical Identifiers
| CAS Number | 861241-36-3 |
|---|---|
| SMILES | CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
Product Overview
2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid (CAS 861241-36-3), with molecular formula C12H10N4O4S and molecular weight 306.04 g/mol. IUPAC: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid
Property Insights of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid
The XLogP value of 2.23912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid. The TPSA of 122.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid. Following Lipinski's Rule of Five, 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid has 2 hydrogen bond donor(s) and 6 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 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid?
The CAS number of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid is 861241-36-3.
What is the molecular formula of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid?
The molecular formula of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid is C12H10N4O4S.
What is the molecular weight of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid?
The molecular weight of 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid is 306.04 g/mol.
Where can I buy 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid?
You can request a quote for 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Methyl-1H-1,2,4-triazol-5-yl)thio]-3-(4-nitrophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.