![(Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid structure](/static/products/573/573697-61-7.png)
(Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
TL;DR: (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 573697-61-7) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, 3-benzo[1,3]dioxol-5-yl-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid, (Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 2.05962 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 725.9565 |
Chemical Identifiers
| CAS Number | 573697-61-7 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)O |
Product Overview
(Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid (CAS 573697-61-7), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: (Z)-3-(1,3-benzodioxol-5-yl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
Property Insights of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid
The XLogP value of 2.05962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid. Following Lipinski's Rule of Five, (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic 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 (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The CAS number of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 573697-61-7.
What is the molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular formula of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is C13H11N3O4S.
What is the molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
The molecular weight of (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid is 305.05 g/mol.
Where can I buy (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
You can request a quote for (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)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)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(benzo[d][1,3]dioxol-5-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.