butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
TL;DR: butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 690651-97-9) is a chemical compound with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, butyl 4-[({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, butyl 4-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H24N4O4S |
|---|---|
| Molecular Weight | 428.15 g/mol |
| LogP | 4.2457 |
| Topological Polar Surface Area | 99.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 428.15182 |
| Heavy Atoms | 30 |
| Complexity | 967.5701 |
Chemical Identifiers
| CAS Number | 690651-97-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CO3 |
Product Overview
butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 690651-97-9), with molecular formula C21H24N4O4S and molecular weight 428.15 g/mol. IUPAC: butyl 4-[[2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Property Insights of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
The XLogP value of 4.2457 indicates that butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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 butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)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 butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The CAS number of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 690651-97-9.
What is the molecular formula of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular formula of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is C21H24N4O4S.
What is the molecular weight of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular weight of butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 428.15 g/mol.
Where can I buy butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
You can request a quote for butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(2-((4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.