Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate
TL;DR: Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate (CAS 649766-33-6) is a chemical compound with molecular formula C18H21NO5 and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
Also Known As: Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate, ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate, Ethyl 1-benzyl-4-(methoxycarbonylmethyl)-2-methyl-5-oxo-4H-pyrrole-3-carboxylate, Ethyl 1-benzyl-4-(2-methoxy-2-oxoethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
| Molecular Formula | C18H21NO5 |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 2.0452 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.14197 |
| Heavy Atoms | 24 |
| Complexity | 665.2465 |
Chemical Identifiers
| CAS Number | 649766-33-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=O)C1CC(=O)OC)CC2=CC=CC=C2)C |
Product Overview
Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate (CAS 649766-33-6), with molecular formula C18H21NO5 and molecular weight 331.14 g/mol. IUPAC: ethyl 1-benzyl-3-(2-methoxy-2-oxoethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
Chemical Property Profile of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate
Property Insights of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate
The XLogP value of 2.0452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate. Following Lipinski's Rule of Five, Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate has 0 hydrogen bond donor(s) and 5 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 Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate?
The CAS number of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate is 649766-33-6.
What is the molecular formula of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate?
The molecular formula of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate is C18H21NO5.
What is the molecular weight of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate?
The molecular weight of Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate is 331.14 g/mol.
Where can I buy Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate?
You can request a quote for Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(ethoxycarbonyl)-2,3-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-1H-pyrrole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.