ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate
TL;DR: ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate (CAS 476449-93-1) is a chemical compound with molecular formula C22H23FN4O4S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(3-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate
Also Known As: ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate, F0528-0707, ethyl 2-[[4-(3-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate, ethyl 2-{[4-(3-fluorophenyl)-5-{[(4-methoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl]sulfanyl}propanoate
| Molecular Formula | C22H23FN4O4S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 3.3887 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.1424 |
| Heavy Atoms | 32 |
| Complexity | 1087.7898 |
Chemical Identifiers
| CAS Number | 476449-93-1 |
|---|---|
| SMILES | CCOC(=O)C(C)SC1=NN=C(N1C2=CC(=CC=C2)F)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate (CAS 476449-93-1), with molecular formula C22H23FN4O4S and molecular weight 458.14 g/mol. IUPAC: ethyl 2-[[4-(3-fluorophenyl)-5-[[(4-methoxybenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]propanoate.
Chemical Property Profile of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate
Property Insights of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate
The XLogP value of 3.3887 indicates that ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)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-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate. Following Lipinski's Rule of Five, ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)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-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The CAS number of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate is 476449-93-1.
What is the molecular formula of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The molecular formula of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate is C22H23FN4O4S.
What is the molecular weight of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
The molecular weight of ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate is 458.14 g/mol.
Where can I buy ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
You can request a quote for ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)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-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((4-(3-fluorophenyl)-5-((4-methoxybenzamido)methyl)-4H-1,2,4-triazol-3-yl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.