![Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate structure](/static/products/7168/7168-25-4.webp)
Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
TL;DR: Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate (CAS 7168-25-4) is a chemical compound with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
Also Known As: Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate, methyl 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate
| Molecular Formula | C18H18N4O5S |
|---|---|
| Molecular Weight | 402.10 g/mol |
| LogP | 3.18019 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.0998 |
| Heavy Atoms | 28 |
| Complexity | 1036.5281 |
Chemical Identifiers
| CAS Number | 7168-25-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=NN2C=NNC2=S)OCC3=CC=C(O3)C(=O)OC |
Product Overview
Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate (CAS 7168-25-4), with molecular formula C18H18N4O5S and molecular weight 402.10 g/mol. IUPAC: methyl 5-[[2-ethoxy-4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]methyl]furan-2-carboxylate.
Chemical Property Profile of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
Property Insights of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate
The XLogP value of 3.18019 indicates that Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate. Following Lipinski's Rule of Five, Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate has 1 hydrogen bond donor(s) and 8 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-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate?
The CAS number of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate is 7168-25-4.
What is the molecular formula of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate?
The molecular formula of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate is C18H18N4O5S.
What is the molecular weight of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate?
The molecular weight of Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate is 402.10 g/mol.
Where can I buy Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate?
You can request a quote for Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-[(2-ethoxy-4-{[(5-sulfanylidene-1,5-dihydro-4H-1,2,4-triazol-4-yl)imino]methyl}phenoxy)methyl]furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.