![(E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid structure](/static/products/577/577998-31-3.png)
(E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
TL;DR: (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid (CAS 577998-31-3) is a chemical compound with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, (2E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (E)-3-[5-(5-Chloro-2-methyl-phenyl)-furan-2-yl]-2-(5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acrylic acid, (E)-3-(5-(5-chloro-2-methylphenyl)furan-2-yl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, (E)-3-[5-(5-chloranyl-2-methyl-phenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
| Molecular Formula | C17H14ClN3O3S |
|---|---|
| Molecular Weight | 375.04 g/mol |
| LogP | 4.55274 |
| Topological Polar Surface Area | 92.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.04443 |
| Heavy Atoms | 25 |
| Complexity | 961.71124 |
Chemical Identifiers
| CAS Number | 577998-31-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)/C=C(\C(=O)O)/SC3=NNC(=N3)C |
Product Overview
(E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid (CAS 577998-31-3), with molecular formula C17H14ClN3O3S and molecular weight 375.04 g/mol. IUPAC: (E)-3-[5-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Property Insights of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
The XLogP value of 4.55274 indicates that (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic 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-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic 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-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The CAS number of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is 577998-31-3.
What is the molecular formula of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The molecular formula of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is C17H14ClN3O3S.
What is the molecular weight of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
The molecular weight of (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid is 375.04 g/mol.
Where can I buy (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
You can request a quote for (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic 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-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.