RefChem:888825
TL;DR: RefChem:888825 (CAS 54574-01-5) is a chemical compound with molecular formula C32H38N2O3 and molecular weight 498.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(diethylamino)-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 6-(Diethylamino)-2-(octylamino)fluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-2'-(octylamino)-, 6'-(Diethylamino)-2'-(octylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 6'-2'- spiro[isobenzofuran-1 ,9'-[9h]xanthene]-3-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-2'-(octylamino)-
| Molecular Formula | C32H38N2O3 |
|---|---|
| Molecular Weight | 498.29 g/mol |
| LogP | 8.4 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 498.28824 |
| Heavy Atoms | 37 |
| Complexity | 742.0 |
Chemical Identifiers
| CAS Number | 54574-01-5 |
|---|---|
| SMILES | CCCCCCCCNC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)N(CC)CC |
| InChIKey | NMDQDUHQWBIVNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888825 (CAS 54574-01-5), with molecular formula C32H38N2O3 and molecular weight 498.29 g/mol. IUPAC: 6'-(diethylamino)-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888825
Property Insights of RefChem:888825
The XLogP value of 8.4 indicates that RefChem:888825 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:888825 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888825 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 RefChem:888825?
The CAS number of RefChem:888825 is 54574-01-5.
What is the molecular formula of RefChem:888825?
The molecular formula of RefChem:888825 is C32H38N2O3.
What is the molecular weight of RefChem:888825?
The molecular weight of RefChem:888825 is 498.29 g/mol.
Where can I buy RefChem:888825?
You can request a quote for RefChem:888825 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888825?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888825 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.