3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
TL;DR: 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran (CAS 36431-22-8) is a chemical compound with molecular formula C33H32N2O3 and molecular weight 504.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: YAMAMOTO BLACK 15, 2-(2,4-Dimethylphenylamino)-3-methyl-6-diethylaminofluoran, 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran, 6'-(diethylamino)-2'-((2,4-dimethylphenyl)amino)-3'-methyl-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, 1-Cyclopentene-1-carboxaldehyde, 5-ethyl-
| Molecular Formula | C33H32N2O3 |
|---|---|
| Molecular Weight | 504.24 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.2413 |
| Heavy Atoms | 38 |
| Complexity | 846.0 |
Chemical Identifiers
| CAS Number | 36431-22-8 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=C(C=C(C=C6)C)C)C |
| InChIKey | GFGSEGIRJFDXFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran (CAS 36431-22-8), with molecular formula C33H32N2O3 and molecular weight 504.24 g/mol. IUPAC: 6'-(diethylamino)-2'-(2,4-dimethylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
Property Insights of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran
The XLogP value of 7.6 indicates that 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran 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 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran?
The CAS number of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran is 36431-22-8.
What is the molecular formula of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran?
The molecular formula of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran is C33H32N2O3.
What is the molecular weight of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran?
The molecular weight of 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran is 504.24 g/mol.
Where can I buy 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran?
You can request a quote for 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran?
Yes, KEHONG BIO provides custom synthesis services for 3-Diethylamino-6-methyl-7-(2,4-xylidino)fluoran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.