RefChem:888790
TL;DR: RefChem:888790 (CAS 63430-57-9) is a chemical compound with molecular formula C37H32N2O3 and molecular weight 552.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(N-ethyl-4-methylanilino)-3'-methyl-2'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3-(N-Ethyl-N-(p-tolyl))amino-6-methyl-7-p-toluidinofluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-3'-methyl-2'-[(4-methylphenyl)amino]-, 2-(p-Toluidino)-3-methyl-6-(N-ethyl-p-toluidino)fluoran, 6'-(Ethyl(p-tolyl)amino)-3'-methyl-2'-((p-tolyl)amino)spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-3-one, Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 6'-(ethyl(4-methylphenyl)amino)-3'-methyl-2'-((4-methylphenyl)amino)-
| Molecular Formula | C37H32N2O3 |
|---|---|
| Molecular Weight | 552.24 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 552.2413 |
| Heavy Atoms | 42 |
| Complexity | 941.0 |
Chemical Identifiers
| CAS Number | 63430-57-9 |
|---|---|
| SMILES | CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=C(C(=C6)NC7=CC=C(C=C7)C)C |
| InChIKey | NBGXBMYIFVBGPM-UHFFFAOYSA-N |
Product Overview
RefChem:888790 (CAS 63430-57-9), with molecular formula C37H32N2O3 and molecular weight 552.24 g/mol. IUPAC: 6'-(N-ethyl-4-methylanilino)-3'-methyl-2'-(4-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888790
Property Insights of RefChem:888790
The XLogP value of 8.8 indicates that RefChem:888790 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:888790 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888790 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:888790?
The CAS number of RefChem:888790 is 63430-57-9.
What is the molecular formula of RefChem:888790?
The molecular formula of RefChem:888790 is C37H32N2O3.
What is the molecular weight of RefChem:888790?
The molecular weight of RefChem:888790 is 552.24 g/mol.
Where can I buy RefChem:888790?
You can request a quote for RefChem:888790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.