RefChem:888785
TL;DR: RefChem:888785 (CAS 68003-47-4) is a chemical compound with molecular formula C33H40N2O3 and molecular weight 512.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 7'-Octylamino-3'-diethylamino-6'-methylfluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-(diethylamino)-3'-methyl-2'-(octylamino)-, 6'-(diethylamino)-3'-methyl-2'-(octylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(diethylamino)-3'-methyl-2'-(octylamino)-, 6'-(Diethylamino)-3'-methyl-2'-(octylamino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one
| Molecular Formula | C33H40N2O3 |
|---|---|
| Molecular Weight | 512.30 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.3039 |
| Heavy Atoms | 38 |
| Complexity | 771.0 |
Chemical Identifiers
| CAS Number | 68003-47-4 |
|---|---|
| SMILES | CCCCCCCCNC1=CC2=C(C=C1C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)N(CC)CC |
| InChIKey | QOCARFZBVIMWOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888785 (CAS 68003-47-4), with molecular formula C33H40N2O3 and molecular weight 512.30 g/mol. IUPAC: 6'-(diethylamino)-3'-methyl-2'-(octylamino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888785
Property Insights of RefChem:888785
The XLogP value of 8.8 indicates that RefChem:888785 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:888785 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888785 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:888785?
The CAS number of RefChem:888785 is 68003-47-4.
What is the molecular formula of RefChem:888785?
The molecular formula of RefChem:888785 is C33H40N2O3.
What is the molecular weight of RefChem:888785?
The molecular weight of RefChem:888785 is 512.30 g/mol.
Where can I buy RefChem:888785?
You can request a quote for RefChem:888785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.