3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
TL;DR: 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid (CAS 400751-55-5) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid
Also Known As: 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid, 3-(3-Methoxyphenyl)-1-oxoisochroman-4-carboxylic acid, methoxyphenyloxodihydroisochromenecarboxylicacid, C-4248, 3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.7751 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 737.3341 |
Chemical Identifiers
| CAS Number | 400751-55-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C(C3=CC=CC=C3C(=O)O2)C(=O)O |
Product Overview
3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid (CAS 400751-55-5), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: 3-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid.
Chemical Property Profile of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
Property Insights of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
The XLogP value of 2.7751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid has 1 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 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The CAS number of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is 400751-55-5.
What is the molecular formula of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The molecular formula of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is C17H14O5.
What is the molecular weight of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The molecular weight of 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is 298.08 g/mol.
Where can I buy 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
You can request a quote for 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-methoxyphenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.