methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 823211-50-3) is a chemical compound with molecular formula C21H18N4O5S2 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ASN 05099303, methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate, METHYL 2-(2-{[5,6-BIS(FURAN-2-YL)-1,2,4-TRIAZIN-3-YL]SULFANYL}ACETAMIDO)-4,5-DIMETHYLTHIOPHENE-3-CARBOXYLATE, 816-421-5
| Molecular Formula | C21H18N4O5S2 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | 4.58734 |
| Topological Polar Surface Area | 120.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.07187 |
| Heavy Atoms | 32 |
| Complexity | 1249.7198 |
Chemical Identifiers
| CAS Number | 823211-50-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CO3)C4=CC=CO4)C |
Product Overview
methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 823211-50-3), with molecular formula C21H18N4O5S2 and molecular weight 470.07 g/mol. IUPAC: methyl 2-[[2-[[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.58734 indicates that methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.35 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 10 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 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 823211-50-3.
What is the molecular formula of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is C21H18N4O5S2.
What is the molecular weight of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 470.07 g/mol.
Where can I buy methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((5,6-di(furan-2-yl)-1,2,4-triazin-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.