![(E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid structure](/static/products/116/1164543-17-2.png)
(E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid
TL;DR: (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid (CAS 1164543-17-2) is a chemical compound with molecular formula C16H12ClN3O3S and molecular weight 361.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid, (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, (E)-3-(5-(4-chlorophenyl)furan-2-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, (E)-3-[5-(4-chlorophenyl)-2-furanyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoic acid, (E)-3-[5-(4-chlorophenyl)-2-furyl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylic acid
| Molecular Formula | C16H12ClN3O3S |
|---|---|
| Molecular Weight | 361.03 g/mol |
| LogP | 4.24432 |
| Topological Polar Surface Area | 92.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.02878 |
| Heavy Atoms | 24 |
| Complexity | 899.44574 |
Chemical Identifiers
| CAS Number | 1164543-17-2 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)Cl)/C(=O)O |
Product Overview
(E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid (CAS 1164543-17-2), with molecular formula C16H12ClN3O3S and molecular weight 361.03 g/mol. IUPAC: (E)-3-[5-(4-chlorophenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid
Property Insights of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid
The XLogP value of 4.24432 indicates that (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid. Following Lipinski's Rule of Five, (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic 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)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid?
The CAS number of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid is 1164543-17-2.
What is the molecular formula of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid?
The molecular formula of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid is C16H12ClN3O3S.
What is the molecular weight of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid?
The molecular weight of (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid is 361.03 g/mol.
Where can I buy (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid?
You can request a quote for (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[5-(4-Chloro-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.