3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
TL;DR: 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid (CAS 400751-70-4) is a chemical compound with molecular formula C16H10Cl2O4 and molecular weight 336.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid
Also Known As: 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid, 3-(2,4-Dichlorophenyl)-1-oxoisochroman-4-carboxylic acid, J1.206.893J, dichlorophenyloxodihydroisochromenecarboxylicacid, 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid
| Molecular Formula | C16H10Cl2O4 |
|---|---|
| Molecular Weight | 336.00 g/mol |
| LogP | 4.0733 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 335.9956 |
| Heavy Atoms | 22 |
| Complexity | 772.49115 |
Chemical Identifiers
| CAS Number | 400751-70-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(C(OC2=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)O |
Product Overview
3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid (CAS 400751-70-4), with molecular formula C16H10Cl2O4 and molecular weight 336.00 g/mol. IUPAC: 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydroisochromene-4-carboxylic acid.
Chemical Property Profile of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
Property Insights of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid
The XLogP value of 4.0733 indicates that 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic 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 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic 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 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The CAS number of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is 400751-70-4.
What is the molecular formula of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The molecular formula of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is C16H10Cl2O4.
What is the molecular weight of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
The molecular weight of 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid is 336.00 g/mol.
Where can I buy 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
You can request a quote for 3-(2,4-dichlorophenyl)-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-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-dichlorophenyl)-1-oxo-3,4-dihydro-1H-isochromene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.