2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran
TL;DR: 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran (CAS 70516-41-5) is a chemical compound with molecular formula C34H34N2O3 and molecular weight 518.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: 2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 6'-(N-Isoamyl-N-ethylamino)-3'-methyl-2'-phenylaminofluoran, 6'-(Ethyl(isopentyl)amino)-3'-methyl-2'-(phenylamino)-3H-spiro[isobenzofuran-1,9'-xanthen]-3-one, EC 274-641-1, 3-(Ethylisoamylamino)-6-methyl-7-anilinofluoran
| Molecular Formula | C34H34N2O3 |
|---|---|
| Molecular Weight | 518.26 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.25696 |
| Heavy Atoms | 39 |
| Complexity | 842.0 |
Chemical Identifiers
| CAS Number | 70516-41-5 |
|---|---|
| SMILES | CCN(CCC(C)C)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 | HUSIBQLZEMMTCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran (CAS 70516-41-5), with molecular formula C34H34N2O3 and molecular weight 518.26 g/mol. IUPAC: 2'-anilino-6'-[ethyl(3-methylbutyl)amino]-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran
Property Insights of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran
The XLogP value of 8.2 indicates that 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)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, 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)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 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran?
The CAS number of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran is 70516-41-5.
What is the molecular formula of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran?
The molecular formula of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran is C34H34N2O3.
What is the molecular weight of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran?
The molecular weight of 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran is 518.26 g/mol.
Where can I buy 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran?
You can request a quote for 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran 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-(N-ethyl-N-isoamylamino)fluoran?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.