RefChem:888758
TL;DR: RefChem:888758 (CAS 34342-67-1) is a chemical compound with molecular formula C39H36N2O3 and molecular weight 580.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(dibenzylamino)-6'-(diethylamino)-4'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 1-Methyl-3-(bis(phenylmethyl)amino)-7-(diethylamino)fluoran, 2'-(dibenzylamino)-6'-(diethylamino)-4'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 2'-[bis(phenylmethyl)amino]-6'-(diethylamino)-4'-methyl-, 4,6-dimethyl-1,4-dihydro-9h-imidazo[1,2-a]purin-9-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 2'-(bis(phenylmethyl)amino)-6'-(diethylamino)-4'-methyl-
| Molecular Formula | C39H36N2O3 |
|---|---|
| Molecular Weight | 580.27 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 580.2726 |
| Heavy Atoms | 44 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 34342-67-1 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C(=CC(=C5)N(CC6=CC=CC=C6)CC7=CC=CC=C7)C |
| InChIKey | VDBOFGZVSSZTBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888758 (CAS 34342-67-1), with molecular formula C39H36N2O3 and molecular weight 580.27 g/mol. IUPAC: 2'-(dibenzylamino)-6'-(diethylamino)-4'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888758
Property Insights of RefChem:888758
The XLogP value of 8.5 indicates that RefChem:888758 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, RefChem:888758 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888758 has 0 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:888758?
The CAS number of RefChem:888758 is 34342-67-1.
What is the molecular formula of RefChem:888758?
The molecular formula of RefChem:888758 is C39H36N2O3.
What is the molecular weight of RefChem:888758?
The molecular weight of RefChem:888758 is 580.27 g/mol.
Where can I buy RefChem:888758?
You can request a quote for RefChem:888758 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888758?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888758 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.