2-(4-oxochroman-2-yl)benzoic Acid
TL;DR: 2-(4-oxochroman-2-yl)benzoic Acid (CAS 20052-40-8) is a chemical compound with molecular formula C16H12O4 and molecular weight 268.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-2,3-dihydrochromen-2-yl)benzoic acid
Also Known As: 2-(4-oxochroman-2-yl)benzoic Acid, o-(4-oxo-2-chromanyl)benzoic acid, VU0607336-1, 2-(4-oxo-2,3-dihydrochromen-2-yl)benzoic acid, F3253-0001
| Molecular Formula | C16H12O4 |
|---|---|
| Molecular Weight | 268.07 g/mol |
| LogP | 3.0913 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.07355 |
| Heavy Atoms | 20 |
| Complexity | 690.38116 |
Chemical Identifiers
| CAS Number | 20052-40-8 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-(4-oxochroman-2-yl)benzoic Acid (CAS 20052-40-8), with molecular formula C16H12O4 and molecular weight 268.07 g/mol. IUPAC: 2-(4-oxo-2,3-dihydrochromen-2-yl)benzoic acid.
Chemical Property Profile of 2-(4-oxochroman-2-yl)benzoic Acid
Property Insights of 2-(4-oxochroman-2-yl)benzoic Acid
The XLogP value of 3.0913 indicates that 2-(4-oxochroman-2-yl)benzoic Acid 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 2-(4-oxochroman-2-yl)benzoic Acid. Following Lipinski's Rule of Five, 2-(4-oxochroman-2-yl)benzoic Acid 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 2-(4-oxochroman-2-yl)benzoic Acid?
The CAS number of 2-(4-oxochroman-2-yl)benzoic Acid is 20052-40-8.
What is the molecular formula of 2-(4-oxochroman-2-yl)benzoic Acid?
The molecular formula of 2-(4-oxochroman-2-yl)benzoic Acid is C16H12O4.
What is the molecular weight of 2-(4-oxochroman-2-yl)benzoic Acid?
The molecular weight of 2-(4-oxochroman-2-yl)benzoic Acid is 268.07 g/mol.
Where can I buy 2-(4-oxochroman-2-yl)benzoic Acid?
You can request a quote for 2-(4-oxochroman-2-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-oxochroman-2-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-oxochroman-2-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.