![Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate structure](/static/products/4764/476431-36-4.webp)
Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
TL;DR: Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate (CAS 476431-36-4) is a chemical compound with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate, F0528-0078, ethyl 2-((5-((4-methoxybenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate, ethyl 2-[(5-{[(4-methoxyphenyl)formamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]propanoate
| Molecular Formula | C22H24N4O4S |
|---|---|
| Molecular Weight | 440.15 g/mol |
| LogP | 3.2496 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.15182 |
| Heavy Atoms | 31 |
| Complexity | 1021.75 |
Chemical Identifiers
| CAS Number | 476431-36-4 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate (CAS 476431-36-4), with molecular formula C22H24N4O4S and molecular weight 440.15 g/mol. IUPAC: ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
Property Insights of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate
The XLogP value of 3.2496 indicates that Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate 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 Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The CAS number of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is 476431-36-4.
What is the molecular formula of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The molecular formula of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is C22H24N4O4S.
What is the molecular weight of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
The molecular weight of Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate is 440.15 g/mol.
Where can I buy Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
You can request a quote for Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[[5-[[(4-methoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.