Fluoran Black
TL;DR: Fluoran Black (CAS 68506-98-9) is a chemical compound with molecular formula C30H25ClN2O3 and molecular weight 496.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(2-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: Fluoran Black, 3-N,N-Diethylamino-7-(orthochloro)anilinofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-[(2-chlorophenyl)amino]-6'-(diethylamino)-, 2'-(2-Chlorophenylamino)-6'-diethylaminofluoran, 2'-(2-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
| Molecular Formula | C30H25ClN2O3 |
|---|---|
| Molecular Weight | 496.16 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.15536 |
| Heavy Atoms | 36 |
| Complexity | 792.0 |
Chemical Identifiers
| CAS Number | 68506-98-9 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC=C6Cl |
| InChIKey | LRQZDCOOTPXRKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fluoran Black (CAS 68506-98-9), with molecular formula C30H25ClN2O3 and molecular weight 496.16 g/mol. IUPAC: 2'-(2-chloroanilino)-6'-(diethylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of Fluoran Black
Property Insights of Fluoran Black
The XLogP value of 7.2 indicates that Fluoran Black is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, Fluoran Black exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fluoran Black has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fluoran Black?
The CAS number of Fluoran Black is 68506-98-9.
What is the molecular formula of Fluoran Black?
The molecular formula of Fluoran Black is C30H25ClN2O3.
What is the molecular weight of Fluoran Black?
The molecular weight of Fluoran Black is 496.16 g/mol.
Where can I buy Fluoran Black?
You can request a quote for Fluoran Black directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fluoran Black?
Yes, KEHONG BIO provides custom synthesis services for Fluoran Black and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.