![[5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid structure](/static/products/3073/307327-49-7.webp)
[5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
TL;DR: [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 307327-49-7) is a chemical compound with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(furan-2-yl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
Also Known As: 2-Iodo-4-methyl-6-nitrophenol, 9743AD, [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid, BAS 00792548, SDCCGSBI-0660597.P001
| Molecular Formula | C12H13N3O3S |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.06775 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 307327-49-7 |
|---|---|
| SMILES | CC(=C)CN1C(=NN=C1SCC(=O)O)C2=CC=CO2 |
| InChIKey | GJLSYSQHYWGJCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid (CAS 307327-49-7), with molecular formula C12H13N3O3S and molecular weight 279.07 g/mol. IUPAC: 2-[[5-(furan-2-yl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid.
Chemical Property Profile of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
Property Insights of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid. Following Lipinski's Rule of Five, [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid has 1 hydrogen bond donor(s) and 6 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 [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The CAS number of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 307327-49-7.
What is the molecular formula of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular formula of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is C12H13N3O3S.
What is the molecular weight of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
The molecular weight of [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid is 279.07 g/mol.
Where can I buy [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
You can request a quote for [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-Furan-2-yl-4-(2-methyl-allyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.