![4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid structure](/static/products/6932/693268-12-1.webp)
4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid
TL;DR: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid (CAS 693268-12-1) is a chemical compound with molecular formula C21H19NO5 and molecular weight 365.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid
Also Known As: ChemDiv2_004681, CBKinase1_003334, CBKinase1_015734, IDI1_003396, 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid
| Molecular Formula | C21H19NO5 |
|---|---|
| Molecular Weight | 365.13 g/mol |
| LogP | 3.8683 |
| Topological Polar Surface Area | 88.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.1263 |
| Heavy Atoms | 27 |
| Complexity | 955.242 |
Chemical Identifiers
| CAS Number | 693268-12-1 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)C(=O)O)CCC(=O)O |
Product Overview
4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid (CAS 693268-12-1), with molecular formula C21H19NO5 and molecular weight 365.13 g/mol. IUPAC: 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)pyrrol-1-yl]benzoic acid.
Chemical Property Profile of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid
Property Insights of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid
The XLogP value of 3.8683 indicates that 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid has 2 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-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid?
The CAS number of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid is 693268-12-1.
What is the molecular formula of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid?
The molecular formula of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid is C21H19NO5.
What is the molecular weight of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid?
The molecular weight of 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid is 365.13 g/mol.
Where can I buy 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid?
You can request a quote for 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(2-carboxyethyl)-5-(4-methoxyphenyl)-1H-pyrrol-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.