2-Anilino-3-methyl-6-diethylaminofluoran
TL;DR: 2-Anilino-3-methyl-6-diethylaminofluoran (CAS 29512-49-0) is a chemical compound with molecular formula C31H28N2O3 and molecular weight 476.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: tricetylamine, One Dye Black 1, 7-Anilino-3-diethylamino-6-methyl fluoran, THDA, 2-Anilino-3-methyl-6-diethylaminofluoran
| Molecular Formula | C31H28N2O3 |
|---|---|
| Molecular Weight | 476.21 g/mol |
| LogP | 6.9 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.21 |
| Heavy Atoms | 36 |
| Complexity | 780.0 |
Chemical Identifiers
| CAS Number | 29512-49-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=C(C(=C5)NC6=CC=CC=C6)C |
| InChIKey | WQFYAGVHZYFXDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Anilino-3-methyl-6-diethylaminofluoran (CAS 29512-49-0), with molecular formula C31H28N2O3 and molecular weight 476.21 g/mol. IUPAC: 2'-anilino-6'-(diethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 2-Anilino-3-methyl-6-diethylaminofluoran
Property Insights of 2-Anilino-3-methyl-6-diethylaminofluoran
The XLogP value of 6.9 indicates that 2-Anilino-3-methyl-6-diethylaminofluoran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, 2-Anilino-3-methyl-6-diethylaminofluoran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-3-methyl-6-diethylaminofluoran 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 2-Anilino-3-methyl-6-diethylaminofluoran?
The CAS number of 2-Anilino-3-methyl-6-diethylaminofluoran is 29512-49-0.
What is the molecular formula of 2-Anilino-3-methyl-6-diethylaminofluoran?
The molecular formula of 2-Anilino-3-methyl-6-diethylaminofluoran is C31H28N2O3.
What is the molecular weight of 2-Anilino-3-methyl-6-diethylaminofluoran?
The molecular weight of 2-Anilino-3-methyl-6-diethylaminofluoran is 476.21 g/mol.
Where can I buy 2-Anilino-3-methyl-6-diethylaminofluoran?
You can request a quote for 2-Anilino-3-methyl-6-diethylaminofluoran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilino-3-methyl-6-diethylaminofluoran?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-3-methyl-6-diethylaminofluoran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.