![[2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid structure](/static/products/876/87626-98-0.png)
[2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
TL;DR: [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid (CAS 87626-98-0) is a chemical compound with molecular formula C19H16O6 and molecular weight 340.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-8-yl]acetic acid
Also Known As: 2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-8-yl]acetic acid, 2-[2-(3,4-dimethoxyphenyl)-4-oxo-chromen-8-yl]acetic acid, [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid, 2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-acetic acid, 2-[2-(3,4-dimethoxyphenyl)-4-oxo-4H-chromen-8-yl]acetic acid
| Molecular Formula | C19H16O6 |
|---|---|
| Molecular Weight | 340.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0947 |
| Heavy Atoms | 25 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 87626-98-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O)OC |
| InChIKey | LNDUOIQFBOCAPW-UHFFFAOYSA-N |
Product Overview
[2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid (CAS 87626-98-0), with molecular formula C19H16O6 and molecular weight 340.09 g/mol. IUPAC: 2-[2-(3,4-dimethoxyphenyl)-4-oxochromen-8-yl]acetic acid.
Chemical Property Profile of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
Property Insights of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid. Following Lipinski's Rule of Five, [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid has 1 hydrogen bond donor(s) and 6 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-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid?
The CAS number of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid is 87626-98-0.
What is the molecular formula of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid?
The molecular formula of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid is C19H16O6.
What is the molecular weight of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid?
The molecular weight of [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid is 340.09 g/mol.
Where can I buy [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid?
You can request a quote for [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [2-(3,4-Dimethoxyphenyl)-4-oxo-4H-1-benzopyran-8-yl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.