![2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid structure](/static/products/578/578749-65-2.png)
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid
TL;DR: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid (CAS 578749-65-2) is a chemical compound with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid
Also Known As: 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid, (2Z)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]-3-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-enoate, (2Z)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-[4-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid, (Z)-2-((5-methyl-4H-1,2,4-triazol-3-yl)thio)-3-(4-(prop-2-yn-1-yloxy)phenyl)acrylic acid, (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 2.34292 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 729.2361 |
Chemical Identifiers
| CAS Number | 578749-65-2 |
|---|---|
| SMILES | CC1=NC(=NN1)S/C(=C\C2=CC=C(C=C2)OCC#C)/C(=O)O |
Product Overview
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid (CAS 578749-65-2), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: (Z)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid
Property Insights of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid
The XLogP value of 2.34292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid. Following Lipinski's Rule of Five, 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)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 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid?
The CAS number of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid is 578749-65-2.
What is the molecular formula of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid?
The molecular formula of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid is C15H13N3O3S.
What is the molecular weight of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid?
The molecular weight of 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid is 315.07 g/mol.
Where can I buy 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid?
You can request a quote for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)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 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-3-(4-prop-2-ynoxyphenyl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.