RefChem:888783
TL;DR: RefChem:888783 (CAS 68134-61-2) is a chemical compound with molecular formula C31H25F3N2O3 and molecular weight 530.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(diethylamino)-2'-[3-(trifluoromethyl)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 6'-(diethylamino)-2'-[[3-(trifluoromethyl)phenyl]amino]spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 6'-(diethylamino)-2'-{[3-(trifluoromethyl)phenyl]amino}-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one, 3-Diethylamino-7-(N-3'-trifluoromethylphenyl)aminofluoran, 6'-(diethylamino)-2'-[3-(trifluoromethyl)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-[[3-(trifluoromethyl)phenyl]amino]-
| Molecular Formula | C31H25F3N2O3 |
|---|---|
| Molecular Weight | 530.18 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 530.1817 |
| Heavy Atoms | 39 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 68134-61-2 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)NC6=CC=CC(=C6)C(F)(F)F |
| InChIKey | MIQPMCGYNFUTPE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888783 (CAS 68134-61-2), with molecular formula C31H25F3N2O3 and molecular weight 530.18 g/mol. IUPAC: 6'-(diethylamino)-2'-[3-(trifluoromethyl)anilino]spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888783
Property Insights of RefChem:888783
The XLogP value of 7.4 indicates that RefChem:888783 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, RefChem:888783 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888783 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:888783?
The CAS number of RefChem:888783 is 68134-61-2.
What is the molecular formula of RefChem:888783?
The molecular formula of RefChem:888783 is C31H25F3N2O3.
What is the molecular weight of RefChem:888783?
The molecular weight of RefChem:888783 is 530.18 g/mol.
Where can I buy RefChem:888783?
You can request a quote for RefChem:888783 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888783?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888783 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.