RefChem:888789
TL;DR: RefChem:888789 (CAS 42228-32-0) is a chemical compound with molecular formula C30H25NO3 and molecular weight 447.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(N-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 3'-(N-Ethyl-N-p-tolylamino)-7'-methylfluoran, Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-[ethyl(4-methylphenyl)amino]-2'-methyl-, 6'-(ETHYL(P-TOLYL)AMINO)-2'-METHYL-3H-SPIRO[ISOBENZOFURAN-1,9'-XANTHEN]-3-ONE, 6'-(N-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one, 6'-[ethyl(p-tolyl)amino]-2'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
| Molecular Formula | C30H25NO3 |
|---|---|
| Molecular Weight | 447.18 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 447.18344 |
| Heavy Atoms | 34 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 42228-32-0 |
|---|---|
| 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)C |
| InChIKey | WZEDZFRFJVWYBI-UHFFFAOYSA-N |
Product Overview
RefChem:888789 (CAS 42228-32-0), with molecular formula C30H25NO3 and molecular weight 447.18 g/mol. IUPAC: 6'-(N-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of RefChem:888789
Property Insights of RefChem:888789
The XLogP value of 6.9 indicates that RefChem:888789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, RefChem:888789 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888789 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:888789?
The CAS number of RefChem:888789 is 42228-32-0.
What is the molecular formula of RefChem:888789?
The molecular formula of RefChem:888789 is C30H25NO3.
What is the molecular weight of RefChem:888789?
The molecular weight of RefChem:888789 is 447.18 g/mol.
Where can I buy RefChem:888789?
You can request a quote for RefChem:888789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888789?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.