6'-(Diethylamino)-1',3'-dimethylfluoran
TL;DR: 6'-(Diethylamino)-1',3'-dimethylfluoran (CAS 21934-68-9) is a chemical compound with molecular formula C26H25NO3 and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 6'-(Diethylamino)-1',3'-dimethylfluoran, 6-chloroquinoline hcl, 6'-(Diethylamino)-1',3'-dimethyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 3-Diethylamino-6,8-dimethylfluoran, 6-(Diethylamino)-1,3-Dimethylfluora
| Molecular Formula | C26H25NO3 |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.18344 |
| Heavy Atoms | 30 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 21934-68-9 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(C=C(C=C5O2)C)C |
| InChIKey | XUFBVJQHCCCPNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6'-(Diethylamino)-1',3'-dimethylfluoran (CAS 21934-68-9), with molecular formula C26H25NO3 and molecular weight 399.18 g/mol. IUPAC: 6'-(diethylamino)-1',3'-dimethylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 6'-(Diethylamino)-1',3'-dimethylfluoran
Property Insights of 6'-(Diethylamino)-1',3'-dimethylfluoran
The XLogP value of 5.7 indicates that 6'-(Diethylamino)-1',3'-dimethylfluoran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, 6'-(Diethylamino)-1',3'-dimethylfluoran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-(Diethylamino)-1',3'-dimethylfluoran has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-(Diethylamino)-1',3'-dimethylfluoran?
The CAS number of 6'-(Diethylamino)-1',3'-dimethylfluoran is 21934-68-9.
What is the molecular formula of 6'-(Diethylamino)-1',3'-dimethylfluoran?
The molecular formula of 6'-(Diethylamino)-1',3'-dimethylfluoran is C26H25NO3.
What is the molecular weight of 6'-(Diethylamino)-1',3'-dimethylfluoran?
The molecular weight of 6'-(Diethylamino)-1',3'-dimethylfluoran is 399.18 g/mol.
Where can I buy 6'-(Diethylamino)-1',3'-dimethylfluoran?
You can request a quote for 6'-(Diethylamino)-1',3'-dimethylfluoran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-(Diethylamino)-1',3'-dimethylfluoran?
Yes, KEHONG BIO provides custom synthesis services for 6'-(Diethylamino)-1',3'-dimethylfluoran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.