RefChem:888787
TL;DR: RefChem:888787 (CAS 42530-35-8) is a chemical compound with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(N-ethyl-4-methylanilino)-2'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 2-(Phenylmethylamino)-6-(p-tolylethylamino)fluoran, 4,6-Diamino-2-methoxy-3-pyridincarbonitril, 6'-[Ethyl(p-tolyl)amino]-2'-(methylphenylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-(methylphenylamino)-, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-2'-(methylphenylamino)-
| Molecular Formula | C36H30N2O3 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.22565 |
| Heavy Atoms | 41 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 42530-35-8 |
|---|---|
| SMILES | CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=CC(=C6)N(C)C7=CC=CC=C7 |
| InChIKey | PALATEZPVSTFIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888787 (CAS 42530-35-8), with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol. IUPAC: 6'-(N-ethyl-4-methylanilino)-2'-(N-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888787
Property Insights of RefChem:888787
The XLogP value of 8.2 indicates that RefChem:888787 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:888787 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888787 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:888787?
The CAS number of RefChem:888787 is 42530-35-8.
What is the molecular formula of RefChem:888787?
The molecular formula of RefChem:888787 is C36H30N2O3.
What is the molecular weight of RefChem:888787?
The molecular weight of RefChem:888787 is 538.23 g/mol.
Where can I buy RefChem:888787?
You can request a quote for RefChem:888787 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888787?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.