![ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate structure](/static/products/3013/301308-82-7.webp)
ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 301308-82-7) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethyl-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate, ethyl 2,4-dimethyl-5-[2-(5-methyl(10-hydro-1,2,4-triazolo[4,3-a]quinolinylthio ))acetyl]pyrrole-3-carboxylate
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.28756 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1288.7584 |
Chemical Identifiers
| CAS Number | 301308-82-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=C3)C)C |
Product Overview
ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate (CAS 301308-82-7), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: ethyl 2,4-dimethyl-5-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate
The XLogP value of 4.28756 indicates that ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate has 1 hydrogen bond donor(s) and 6 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-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 301308-82-7.
What is the molecular formula of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is C22H22N4O3S.
What is the molecular weight of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate is 422.14 g/mol.
Where can I buy ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-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 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2,4-dimethyl-5-{[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.