3,6-二羟基-2-苯并呋喃乙酸二乙酸酯
TL;DR: 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 (CAS 60722-25-0) is a chemical compound with molecular formula C14H12O7 and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-二羟基-2-苯并呋喃乙酸二乙酸酯
2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetic acid
Also Known As: 3,6-Dihydroxy-2-benzofuranacetic acid diacetate, 2-(3,6-Diacetoxybenzofuran-2-yl)acetic acid, 2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetic acid, 2-BENZOFURANACETIC ACID, 3,6-DIHYDROXY-, DIACETATE, [3,6-BIS(ACETYLOXY)-1-BENZOFURAN-2-YL]ACETIC ACID
| Molecular Formula | C14H12O7 |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.0583 |
| Heavy Atoms | 21 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 60722-25-0 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=C(O2)CC(=O)O)OC(=O)C |
| InChIKey | VKGBTZVAMUOXLB-UHFFFAOYSA-N |
Product Overview
3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 (CAS 60722-25-0), with molecular formula C14H12O7 and molecular weight 292.06 g/mol. IUPAC: 2-(3,6-diacetyloxy-1-benzofuran-2-yl)acetic acid.
Chemical Property Profile of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯
Property Insights of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯. Following Lipinski's Rule of Five, 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 has 1 hydrogen bond donor(s) and 7 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 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯?
The CAS number of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 is 60722-25-0.
What is the molecular formula of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯?
The molecular formula of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 is C14H12O7.
What is the molecular weight of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯?
The molecular weight of 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 is 292.06 g/mol.
Where can I buy 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯?
You can request a quote for 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3,6-二羟基-2-苯并呋喃乙酸二乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.