D & C Orange No. 5
TL;DR: D & C Orange No. 5 (CAS 596-03-2) is a chemical compound with molecular formula C20H10Br2O5 and molecular weight 487.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 4',5'-Dibromofluorescein, Solvent Red 72, Eosinic acid, 4,5-Dibromofluorescein, orange 5
| Molecular Formula | C20H10Br2O5 |
|---|---|
| Molecular Weight | 487.89 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 489.88745 |
| Heavy Atoms | 27 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 596-03-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)Br)OC5=C3C=CC(=C5Br)O |
| InChIKey | ZDTNHRWWURISAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D & C Orange No. 5 (CAS 596-03-2), with molecular formula C20H10Br2O5 and molecular weight 487.89 g/mol. IUPAC: 4',5'-dibromo-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of D & C Orange No. 5
Property Insights of D & C Orange No. 5
The XLogP value of 4.8 indicates that D & C Orange No. 5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for D & C Orange No. 5. Following Lipinski's Rule of Five, D & C Orange No. 5 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 D & C Orange No. 5?
The CAS number of D & C Orange No. 5 is 596-03-2.
What is the molecular formula of D & C Orange No. 5?
The molecular formula of D & C Orange No. 5 is C20H10Br2O5.
What is the molecular weight of D & C Orange No. 5?
The molecular weight of D & C Orange No. 5 is 487.89 g/mol.
Where can I buy D & C Orange No. 5?
You can request a quote for D & C Orange No. 5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D & C Orange No. 5?
Yes, KEHONG BIO provides custom synthesis services for D & C Orange No. 5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.