![(2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate structure](/static/products/678/678550-72-6.png)
(2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
TL;DR: (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate (CAS 678550-72-6) is a chemical compound with molecular formula C12H10FN3O2S and molecular weight 279.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid
Also Known As: (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate, (Z)-3-(4-fluorophenyl)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)acrylic acid, (Z)-3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid, 3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic Acid
| Molecular Formula | C12H10FN3O2S |
|---|---|
| Molecular Weight | 279.05 g/mol |
| LogP | 2.47002 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.0478 |
| Heavy Atoms | 19 |
| Complexity | 622.15967 |
Chemical Identifiers
| CAS Number | 678550-72-6 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=CC=C(C=C2)F)/C(=O)O |
Product Overview
(2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate (CAS 678550-72-6), with molecular formula C12H10FN3O2S and molecular weight 279.05 g/mol. IUPAC: (Z)-3-(4-fluorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoic acid.
Chemical Property Profile of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Property Insights of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
The XLogP value of 2.47002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate. Following Lipinski's Rule of Five, (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate has 2 hydrogen bond donor(s) and 4 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-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The CAS number of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is 678550-72-6.
What is the molecular formula of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The molecular formula of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is C12H10FN3O2S.
What is the molecular weight of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
The molecular weight of (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate is 279.05 g/mol.
Where can I buy (2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate?
You can request a quote for (2Z)-3-(4-fluorophenyl)-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-(4-fluorophenyl)-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-(4-fluorophenyl)-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.