ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate (CAS 1004172-19-3) is a chemical compound with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate, F2741-0085, ethyl 2-methyl-5-({[2-(morpholin-4-yl)ethyl]carbamoyl}carbonyl)-4-phenyl-1H-pyrrole-3-carboxylate, ethyl 2-methyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate, Ethyl 2-methyl-5-(2-morpholin-4-ylethylcarbamoylformyl)-4-phenyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C22H27N3O5 |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 1.79792 |
| Topological Polar Surface Area | 100.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.19507 |
| Heavy Atoms | 30 |
| Complexity | 900.9969 |
Chemical Identifiers
| CAS Number | 1004172-19-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NCCN3CCOCC3)C |
Product Overview
ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate (CAS 1004172-19-3), with molecular formula C22H27N3O5 and molecular weight 413.20 g/mol. IUPAC: ethyl 2-methyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.79792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate. The TPSA of 100.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate has 2 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-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate is 1004172-19-3.
What is the molecular formula of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate is C22H27N3O5.
What is the molecular weight of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate is 413.20 g/mol.
Where can I buy ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-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-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-methyl-5-(2-((2-morpholinoethyl)amino)-2-oxoacetyl)-4-phenyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.