Isobenzofuran-1-carboxylic acid
TL;DR: Isobenzofuran-1-carboxylic acid (CAS 247225-80-5) is a chemical compound with molecular formula C9H6O3 and molecular weight 162.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzofuran-1-carboxylic acid
Also Known As: Isobenzofuran-1-carboxylic acid, isobenzofurancarboxylic acid, 2-benzofuran-1-carboxylic acid
| Molecular Formula | C9H6O3 |
|---|---|
| Molecular Weight | 162.03 g/mol |
| LogP | 2.131 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 162.0317 |
| Heavy Atoms | 12 |
| Complexity | 428.0212 |
Chemical Identifiers
| CAS Number | 247225-80-5 |
|---|---|
| SMILES | C1=CC2=COC(=C2C=C1)C(=O)O |
Product Overview
Isobenzofuran-1-carboxylic acid (CAS 247225-80-5), with molecular formula C9H6O3 and molecular weight 162.03 g/mol. IUPAC: 2-benzofuran-1-carboxylic acid.
Chemical Property Profile of Isobenzofuran-1-carboxylic acid
Property Insights of Isobenzofuran-1-carboxylic acid
The XLogP value of 2.131 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobenzofuran-1-carboxylic acid. With a topological polar surface area (TPSA) of 50.44 Ų, Isobenzofuran-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobenzofuran-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 Isobenzofuran-1-carboxylic acid?
The CAS number of Isobenzofuran-1-carboxylic acid is 247225-80-5.
What is the molecular formula of Isobenzofuran-1-carboxylic acid?
The molecular formula of Isobenzofuran-1-carboxylic acid is C9H6O3.
What is the molecular weight of Isobenzofuran-1-carboxylic acid?
The molecular weight of Isobenzofuran-1-carboxylic acid is 162.03 g/mol.
Where can I buy Isobenzofuran-1-carboxylic acid?
You can request a quote for Isobenzofuran-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobenzofuran-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Isobenzofuran-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.