![2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid structure](/static/products/7499/749920-40-9.webp)
2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
TL;DR: 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 749920-40-9) 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.
2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid, {[5-(2-methyl-3-furyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetic acid, 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid, {[5-(2-METHYLFURAN-3-YL)-4-PHENYL-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETIC ACID, {[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
| Molecular Formula | C15H13N3O3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.01242 |
| Topological Polar Surface Area | 81.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.06775 |
| Heavy Atoms | 22 |
| Complexity | 795.4829 |
Chemical Identifiers
| CAS Number | 749920-40-9 |
|---|---|
| SMILES | CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)O |
Product Overview
2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid (CAS 749920-40-9), with molecular formula C15H13N3O3S and molecular weight 315.07 g/mol. IUPAC: 2-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
Property Insights of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
The XLogP value of 3.01242 indicates that 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid has 1 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-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The CAS number of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 749920-40-9.
What is the molecular formula of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is C15H13N3O3S.
What is the molecular weight of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid is 315.07 g/mol.
Where can I buy 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic 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-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(2-methylfuran-3-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.