Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 24898-96-2) is a chemical compound with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate, Phosphonium,benzyl(formylmethyl)diphenyl-,bromide,dimethyl acetal (8CI), 1H-Pyrrole-2-propanoicacid, 4-(ethoxycarbonyl)-3,5-dimethyl-a-nitroso-b-oxo-, ethyl ester, Ethyl 4-(ethoxycarbonyl)-3,5-dimethyl-alpha-nitroso-beta-oxo-1H-pyrrole-2-propanoate, ethyl 5-(3-ethoxy-2-nitroso-3-oxo-propanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
| Molecular Formula | C14H18N2O6 |
|---|---|
| Molecular Weight | 310.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.1165 |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 24898-96-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)C(C(=O)OCC)N=O)C |
| InChIKey | CSGAZVTTZHFZEW-UHFFFAOYSA-N |
Product Overview
Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 24898-96-2), with molecular formula C14H18N2O6 and molecular weight 310.12 g/mol. IUPAC: ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate 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 Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 24898-96-2.
What is the molecular formula of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is C14H18N2O6.
What is the molecular weight of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate is 310.12 g/mol.
Where can I buy Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-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 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(3-ethoxy-2-nitroso-3-oxopropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.