Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-
TL;DR: Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- (CAS 70170-89-7) is a chemical compound with molecular formula C17H12O5 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetic acid
Also Known As: (3-((3-Oxo-2(3H)-benzofuranylidene)methyl)phenoxy)acetic acid, Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-, 2-[3-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetic acid, RefChem:1075568
| Molecular Formula | C17H12O5 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 2.7662 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.06848 |
| Heavy Atoms | 22 |
| Complexity | 776.1237 |
Chemical Identifiers
| CAS Number | 70170-89-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC(=CC=C3)OCC(=O)O)/O2 |
Product Overview
Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- (CAS 70170-89-7), with molecular formula C17H12O5 and molecular weight 296.07 g/mol. IUPAC: 2-[3-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetic acid.
Chemical Property Profile of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-
Property Insights of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-
The XLogP value of 2.7662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-. Following Lipinski's Rule of Five, Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- 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 Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-?
The CAS number of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- is 70170-89-7.
What is the molecular formula of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-?
The molecular formula of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- is C17H12O5.
What is the molecular weight of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-?
The molecular weight of Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- is 296.07 g/mol.
Where can I buy Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-?
You can request a quote for Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (3-((3-oxo-2(3H)-benzofuranylidene)methyl)phenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.