![methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate structure](/static/products/439/439946-32-4.png)
methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate
TL;DR: methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate (CAS 439946-32-4) is a chemical compound with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate, methyl 5-(((5-ethyl-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate, methyl 5-{[(3-ethyl-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}furan-2-carboxylate, METHYL 5-{[(5-ETHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]METHYL}FURAN-2-CARBOXYLATE
| Molecular Formula | C11H13N3O3S |
|---|---|
| Molecular Weight | 267.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.06775 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 439946-32-4 |
|---|---|
| SMILES | CCC1=NC(=NN1)SCC2=CC=C(O2)C(=O)OC |
| InChIKey | MRUVLQCYECBYFX-UHFFFAOYSA-N |
Product Overview
methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate (CAS 439946-32-4), with molecular formula C11H13N3O3S and molecular weight 267.07 g/mol. IUPAC: methyl 5-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate
Property Insights of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate. Following Lipinski's Rule of Five, methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate 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 methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate?
The CAS number of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate is 439946-32-4.
What is the molecular formula of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate?
The molecular formula of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate is C11H13N3O3S.
What is the molecular weight of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate?
The molecular weight of methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate is 267.07 g/mol.
Where can I buy methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate?
You can request a quote for methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-{[(5-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-2-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.