![4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid structure](/static/products/879/879329-73-4.png)
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 315.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-
| Molecular Formula | C18H21NO4 |
|---|---|
| Molecular Weight | 315.15 g/mol |
| LogP | 3.50502 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 315.14706 |
| Heavy Atoms | 23 |
| Complexity | 688.5472 |
Chemical Identifiers
| CAS Number | 879329-73-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCCC(=O)O)C |
Product Overview
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid (CAS 879329-73-4), with molecular formula C18H21NO4 and molecular weight 315.15 g/mol. IUPAC: 4-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)butanoic acid.
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 3.50502 indicates that 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.53 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 3 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 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 315.15 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid?
Yes, KEHONG BIO 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.