5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
TL;DR: 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 488804-04-2) is a chemical compound with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid
Also Known As: ChemDiv3_006530, IDI1_024440, 5-bromo-3-pyrrolylbenzo[b]furan-2-carboxylic acid, 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid, 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid
| Molecular Formula | C13H8BrNO3 |
|---|---|
| Molecular Weight | 304.97 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 304.96875 |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 488804-04-2 |
|---|---|
| SMILES | C1=CN(C=C1)C2=C(OC3=C2C=C(C=C3)Br)C(=O)O |
| InChIKey | GPSKNTJPTFZHCM-UHFFFAOYSA-N |
Product Overview
5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 488804-04-2), with molecular formula C13H8BrNO3 and molecular weight 304.97 g/mol. IUPAC: 5-bromo-3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
Property Insights of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
The XLogP value of 3.3 indicates that 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic 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 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The CAS number of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 488804-04-2.
What is the molecular formula of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular formula of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is C13H8BrNO3.
What is the molecular weight of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular weight of 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 304.97 g/mol.
Where can I buy 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
You can request a quote for 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-(1H-pyrrol-1-yl)-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.