![3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid structure](/static/products/858/858934-75-5.png)
3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
TL;DR: 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid (CAS 858934-75-5) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid
Also Known As: 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid, ChemDiv3_014147, IDI1_029945, 3-[(1-NAPHTHYLOXY)METHYL]PYRROLIDINE, 3-(3-(Ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl)propanoic acid
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 3.11492 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 673.4674 |
Chemical Identifiers
| CAS Number | 858934-75-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1)C2=CC=CC=C2)CCC(=O)O)C |
Product Overview
3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid (CAS 858934-75-5), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: 3-(3-ethoxycarbonyl-2-methyl-5-phenylpyrrol-1-yl)propanoic acid.
Chemical Property Profile of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
Property Insights of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid
The XLogP value of 3.11492 indicates that 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic 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 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic 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 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid?
The CAS number of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid is 858934-75-5.
What is the molecular formula of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid?
The molecular formula of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid is C17H19NO4.
What is the molecular weight of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid?
The molecular weight of 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid is 301.13 g/mol.
Where can I buy 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid?
You can request a quote for 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.