Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-
TL;DR: Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- (CAS 70170-77-3) is a chemical compound with molecular formula C16H10O4 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid
Also Known As: 4-((3-Oxo-2(3H)-benzofuranylidene)methyl)benzoic acid, Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-, 4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid, RefChem:1079098
| Molecular Formula | C16H10O4 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 3.001 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05792 |
| Heavy Atoms | 20 |
| Complexity | 726.39703 |
Chemical Identifiers
| CAS Number | 70170-77-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)/C(=C\C3=CC=C(C=C3)C(=O)O)/O2 |
Product Overview
Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- (CAS 70170-77-3), with molecular formula C16H10O4 and molecular weight 266.06 g/mol. IUPAC: 4-[(E)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-
Property Insights of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-
The XLogP value of 3.001 indicates that Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- has 1 hydrogen bond donor(s) and 3 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 Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-?
The CAS number of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- is 70170-77-3.
What is the molecular formula of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-?
The molecular formula of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- is C16H10O4.
What is the molecular weight of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-?
The molecular weight of Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- is 266.06 g/mol.
Where can I buy Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-?
You can request a quote for Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((3-oxo-2(3H)-benzofuranylidene)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.