3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
TL;DR: 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 80066-99-5) is a chemical compound with molecular formula C13H9NO3 and molecular weight 227.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid
Also Known As: 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid, tert-Butyl diazoacetate, Bionet2_001088, 3-Pyrrol-1-yl-benzofuran-2-carboxylic acid, pyrrolylbenzofurancarboxylicacid
| Molecular Formula | C13H9NO3 |
|---|---|
| Molecular Weight | 227.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.05824 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 80066-99-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(O2)C(=O)O)N3C=CC=C3 |
| InChIKey | YCTXQBNFNACZHO-UHFFFAOYSA-N |
Product Overview
3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid (CAS 80066-99-5), with molecular formula C13H9NO3 and molecular weight 227.06 g/mol. IUPAC: 3-pyrrol-1-yl-1-benzofuran-2-carboxylic acid.
Chemical Property Profile of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
Property Insights of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid. With a topological polar surface area (TPSA) of 55.4 Ų, 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, 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 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The CAS number of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 80066-99-5.
What is the molecular formula of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular formula of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is C13H9NO3.
What is the molecular weight of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
The molecular weight of 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid is 227.06 g/mol.
Where can I buy 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
You can request a quote for 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 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1H-Pyrrol-1-yl)-1-benzofuran-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.