2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
TL;DR: 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 81-87-8) is a chemical compound with molecular formula C20H10Cl2O5 and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
Also Known As: Dichlorofluorescein, 4',5'-Dichlorofluorescein, 2-(4,5-dichloro-6-hydroxy-3-oxo-3h-xanthen-9-yl)benzoic acid, J1.134.382A, 2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid
| Molecular Formula | C20H10Cl2O5 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.99054 |
| Heavy Atoms | 27 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 81-87-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4Cl)O)Cl)C(=O)O |
| InChIKey | QZJUUWVEZFULLI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid (CAS 81-87-8), with molecular formula C20H10Cl2O5 and molecular weight 399.99 g/mol. IUPAC: 2-(4,5-dichloro-3-hydroxy-6-oxoxanthen-9-yl)benzoic acid.
Chemical Property Profile of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
Property Insights of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
The XLogP value of 3.9 indicates that 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid. Following Lipinski's Rule of Five, 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid 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 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The CAS number of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is 81-87-8.
What is the molecular formula of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The molecular formula of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is C20H10Cl2O5.
What is the molecular weight of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
The molecular weight of 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid is 399.99 g/mol.
Where can I buy 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
You can request a quote for 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-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-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dichloro-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.