![4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid structure](/static/products/879/879329-73-4.webp)
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
TL;DR: 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid (CAS 879329-73-4) is a chemical compound with molecular formula C18H21NO4 and molecular weight 315.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)butanoic acid
Also Known As: 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid, 4-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)butanoic acid, 1H-Pyrrole-1-butanoic acid, 3-(ethoxycarbonyl)-2-methyl-5-phenyl-
Technical Specifications
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.14706 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 315.14706 Da |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)O)C |
| InChIKey | WMRNFMBTPIPBCF-UHFFFAOYSA-N |
Chemical Property Profile of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
Property Insights of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid. Following Lipinski's Rule of Five, 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
The CAS number of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid is 879329-73-4.
What is the molecular formula of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
The molecular formula of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid is C18H21NO4.
What is the molecular weight of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
The molecular weight of 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid is 315.14706 g/mol.
Where can I buy 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
You can request a quote for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.