Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-
TL;DR: Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- (CAS 7535-16-2) is a chemical compound with molecular formula C22H14O6 and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-(4-carboxyphenyl)-3-oxo-2-benzofuran-1-yl]benzoic acid
Also Known As: BAS 00431486, 4',4''-Diphenylphthalidendicarbonsaeure, 4,4'-(3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)dibenzoic acid, J1.341.884E, 4,4'-(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)dibenzoic acid
| Molecular Formula | C22H14O6 |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.5453 |
| Topological Polar Surface Area | 100.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.07904 |
| Heavy Atoms | 28 |
| Complexity | 1039.1307 |
Chemical Identifiers
| CAS Number | 7535-16-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)C(=O)O |
Product Overview
Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- (CAS 7535-16-2), with molecular formula C22H14O6 and molecular weight 374.08 g/mol. IUPAC: 4-[1-(4-carboxyphenyl)-3-oxo-2-benzofuran-1-yl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-
Property Insights of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-
The XLogP value of 3.5453 indicates that Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-. Following Lipinski's Rule of Five, Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- has 2 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 Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-?
The CAS number of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- is 7535-16-2.
What is the molecular formula of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-?
The molecular formula of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- is C22H14O6.
What is the molecular weight of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-?
The molecular weight of Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- is 374.08 g/mol.
Where can I buy Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-?
You can request a quote for Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4,4'-(3-oxo-1(3H)-isobenzofuranylidene)bis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.