![methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate structure](/static/products/852/852145-21-2.png)
methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
TL;DR: methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate (CAS 852145-21-2) is a chemical compound with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)methyl)furan-2-carboxylate, methyl 5-{[5-(3-indolyl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-ylthio]methyl}-2-furoate, methyl 5-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate, methyl 5-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C20H20N4O4S |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 3.7447 |
| Topological Polar Surface Area | 95.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1205 |
| Heavy Atoms | 29 |
| Complexity | 1130.6235 |
Chemical Identifiers
| CAS Number | 852145-21-2 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)C3=CNC4=CC=CC=C43 |
Product Overview
methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate (CAS 852145-21-2), with molecular formula C20H20N4O4S and molecular weight 412.12 g/mol. IUPAC: methyl 5-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
Property Insights of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate
The XLogP value of 3.7447 indicates that methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate has 1 hydrogen bond donor(s) and 7 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-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate?
The CAS number of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate is 852145-21-2.
What is the molecular formula of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate?
The molecular formula of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate is C20H20N4O4S.
What is the molecular weight of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate?
The molecular weight of methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate is 412.12 g/mol.
Where can I buy methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate?
You can request a quote for methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-({[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.