![(2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate structure](/static/products/587/587008-99-9.png)
(2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
TL;DR: (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate (CAS 587008-99-9) is a chemical compound with molecular formula C14H14BrN3O4S and molecular weight 398.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, (Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, (Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, 3-(5-bromo-2,4-dimethoxy-phenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid
| Molecular Formula | C14H14BrN3O4S |
|---|---|
| Molecular Weight | 398.99 g/mol |
| LogP | 3.11062 |
| Topological Polar Surface Area | 97.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.98883 |
| Heavy Atoms | 23 |
| Complexity | 760.4758 |
Chemical Identifiers
| CAS Number | 587008-99-9 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=CC(=C(C=C2OC)OC)Br)/C(=O)O |
Product Overview
(2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate (CAS 587008-99-9), with molecular formula C14H14BrN3O4S and molecular weight 398.99 g/mol. IUPAC: (Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Property Insights of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
The XLogP value of 3.11062 indicates that (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.33 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate. Following Lipinski's Rule of Five, (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate 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 (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The CAS number of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is 587008-99-9.
What is the molecular formula of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The molecular formula of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is C14H14BrN3O4S.
What is the molecular weight of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The molecular weight of (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is 398.99 g/mol.
Where can I buy (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
You can request a quote for (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-3-(5-bromo-2,4-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.