ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
TL;DR: ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate (CAS 585557-45-5) is a chemical compound with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: Methyl 4-(2-((4-allyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ME 4-((((4-ALLYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)BENZOATE, methyl 4-[2-(5-(2-furyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio)acetylamino]benz oate, 638-359-6, methyl 4-(2-{[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate
| Molecular Formula | C19H18N4O4S |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 3.2415 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1049 |
| Heavy Atoms | 28 |
| Complexity | 964.49744 |
Chemical Identifiers
| CAS Number | 585557-45-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CO3 |
Product Overview
ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate (CAS 585557-45-5), with molecular formula C19H18N4O4S and molecular weight 398.10 g/mol. IUPAC: methyl 4-[[2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
Property Insights of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
The XLogP value of 3.2415 indicates that ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate. Following Lipinski's Rule of Five, ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate 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 ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The CAS number of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is 585557-45-5.
What is the molecular formula of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The molecular formula of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is C19H18N4O4S.
What is the molecular weight of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The molecular weight of ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is 398.10 g/mol.
Where can I buy ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
You can request a quote for ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-((((4-Allyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.