ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
TL;DR: ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005617-72-0) is a chemical compound with molecular formula C21H27ClN6O3S2 and molecular weight 510.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[({[5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, ETHYL 2-[(2-{[5-(4-CHLORO-1-METHYL-1H-PYRAZOL-3-YL)-4-ISOBUTYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)AMINO]-4,5-DIMETHYL-3-THIOPHENECARBOXYLATE, ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H27ClN6O3S2 |
|---|---|
| Molecular Weight | 510.13 g/mol |
| LogP | 4.57384 |
| Topological Polar Surface Area | 103.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.12747 |
| Heavy Atoms | 33 |
| Complexity | 1167.3741 |
Chemical Identifiers
| CAS Number | 1005617-72-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=NN(C=C3Cl)C |
Product Overview
ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate (CAS 1005617-72-0), with molecular formula C21H27ClN6O3S2 and molecular weight 510.13 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
Property Insights of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 4.57384 indicates that ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-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 103.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 1005617-72-0.
What is the molecular formula of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is C21H27ClN6O3S2.
What is the molecular weight of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate is 510.13 g/mol.
Where can I buy ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-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 ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((5-(4-chloro-1-methyl-1H-pyrazol-3-yl)-4-isobutyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.