![3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid structure](/static/products/4600/460045-37-8.webp)
3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
TL;DR: 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid (CAS 460045-37-8) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(carboxymethyl)-5-phenylpyrrol-2-yl]propanoic acid
Also Known As: BAS 03633555, 3-[1-(carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid, 3-[1-(carboxymethyl)-5-phenylpyrrol-2-yl]propanoic acid, 3-[1-(carboxymethyl)-5-phenyl-1H-pyrrol-2-yl]propanoic acid, 3-(1-(carboxymethyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 460045-37-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(N2CC(=O)O)CCC(=O)O |
| InChIKey | LXPFFYQTJXBQJX-UHFFFAOYSA-N |
Product Overview
3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid (CAS 460045-37-8), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: 3-[1-(carboxymethyl)-5-phenylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
Property Insights of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid has 2 hydrogen bond donor(s) and 4 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-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid?
The CAS number of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid is 460045-37-8.
What is the molecular formula of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid?
The molecular formula of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid is C15H15NO4.
What is the molecular weight of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid?
The molecular weight of 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid is 273.10 g/mol.
Where can I buy 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid?
You can request a quote for 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]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-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(Carboxymethyl)-5-phenyl-2-pyrrolyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.