2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸
TL;DR: 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 (CAS 4743-57-1) is a chemical compound with molecular formula C10H6O4 and molecular weight 190.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸
2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
Also Known As: Phthalylessigsaeure, 3-Carboxymethylenephthalide, Maybridge4_002288, (2Z)-(3-oxo-2-benzofuran-1(3H)-ylidene)acetic acid, Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)-
| Molecular Formula | C10H6O4 |
|---|---|
| Molecular Weight | 190.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02661 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 4743-57-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)O)OC2=O |
| InChIKey | XKMGDVJBAWUUDZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 (CAS 4743-57-1), with molecular formula C10H6O4 and molecular weight 190.03 g/mol. IUPAC: 2-(3-oxo-2-benzofuran-1-ylidene)acetic acid.
Chemical Property Profile of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸
Property Insights of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸. Following Lipinski's Rule of Five, 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 has 1 hydrogen bond donor(s) and 4 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 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸?
The CAS number of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 is 4743-57-1.
What is the molecular formula of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸?
The molecular formula of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 is C10H6O4.
What is the molecular weight of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸?
The molecular weight of 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 is 190.03 g/mol.
Where can I buy 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸?
You can request a quote for 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-氧代-1(3H)-异苯并呋喃亚基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.