Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-
TL;DR: Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- (CAS 70780-35-7) is a chemical compound with molecular formula C18H12O6 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-hydroxy-1,3-dioxoinden-2-yl)acetyl]benzoic acid
Also Known As: Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-, 4-((2-Hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)benzoic acid, ((Carboxy-4 benzoyl) methyl)-2 hydroxy-2 dioxo-1,3 indane, ((Carboxy-4 benzoyl) methyl)-2 hydroxy-2 dioxo-1,3 indane [French], 4-[2-(2-hydroxy-1,3-dioxoinden-2-yl)acetyl]benzoic acid
| Molecular Formula | C18H12O6 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 1.7679 |
| Topological Polar Surface Area | 108.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0634 |
| Heavy Atoms | 24 |
| Complexity | 843.6369 |
Chemical Identifiers
| CAS Number | 70780-35-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(C2=O)(CC(=O)C3=CC=C(C=C3)C(=O)O)O |
Product Overview
Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- (CAS 70780-35-7), with molecular formula C18H12O6 and molecular weight 324.06 g/mol. IUPAC: 4-[2-(2-hydroxy-1,3-dioxoinden-2-yl)acetyl]benzoic acid.
Chemical Property Profile of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-
Property Insights of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-
The XLogP value of 1.7679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-. The TPSA of 108.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-. Following Lipinski's Rule of Five, Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- has 2 hydrogen bond donor(s) and 5 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-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-?
The CAS number of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- is 70780-35-7.
What is the molecular formula of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-?
The molecular formula of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- is C18H12O6.
What is the molecular weight of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-?
The molecular weight of Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- is 324.06 g/mol.
Where can I buy Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-?
You can request a quote for Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- 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-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-((2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)acetyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.