5-羟基-4-苯并呋喃甲酸乙酸酯
TL;DR: 5-羟基-4-苯并呋喃甲酸乙酸酯 (CAS 71590-86-8) is a chemical compound with molecular formula C11H8O5 and molecular weight 220.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-羟基-4-苯并呋喃甲酸乙酸酯
5-acetyloxy-1-benzofuran-4-carboxylic acid
Also Known As: 5-Hydroxy-4-benzofurancarboxylic acid acetate, 4-BENZOFURANCARBOXYLIC ACID, 5-HYDROXY-, ACETATE, 5-acetyloxy-1-benzofuran-4-carboxylic acid, 5-Acetyloxy-4-benzofurancarboxylic acid, 5-(acetyloxy)-1-benzofuran-4-carboxylic acid
| Molecular Formula | C11H8O5 |
|---|---|
| Molecular Weight | 220.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.03717 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 71590-86-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)OC=C2)C(=O)O |
| InChIKey | BKFUQXORWHWIBK-UHFFFAOYSA-N |
Product Overview
5-羟基-4-苯并呋喃甲酸乙酸酯 (CAS 71590-86-8), with molecular formula C11H8O5 and molecular weight 220.04 g/mol. IUPAC: 5-acetyloxy-1-benzofuran-4-carboxylic acid.
Chemical Property Profile of 5-羟基-4-苯并呋喃甲酸乙酸酯
Property Insights of 5-羟基-4-苯并呋喃甲酸乙酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-羟基-4-苯并呋喃甲酸乙酸酯. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-羟基-4-苯并呋喃甲酸乙酸酯. Following Lipinski's Rule of Five, 5-羟基-4-苯并呋喃甲酸乙酸酯 has 1 hydrogen bond donor(s) and 5 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-羟基-4-苯并呋喃甲酸乙酸酯?
The CAS number of 5-羟基-4-苯并呋喃甲酸乙酸酯 is 71590-86-8.
What is the molecular formula of 5-羟基-4-苯并呋喃甲酸乙酸酯?
The molecular formula of 5-羟基-4-苯并呋喃甲酸乙酸酯 is C11H8O5.
What is the molecular weight of 5-羟基-4-苯并呋喃甲酸乙酸酯?
The molecular weight of 5-羟基-4-苯并呋喃甲酸乙酸酯 is 220.04 g/mol.
Where can I buy 5-羟基-4-苯并呋喃甲酸乙酸酯?
You can request a quote for 5-羟基-4-苯并呋喃甲酸乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-羟基-4-苯并呋喃甲酸乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 5-羟基-4-苯并呋喃甲酸乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.