ETAC
TL;DR: ETAC (CAS 59129-79-2) is a chemical compound with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
Also Known As: ETAC, 2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one, 3-(N-Ethyl-N-p-tolyl)amino-6-methyl-7-anilinofluoran, 3'-(N-Ethyl-N-p-tolylamino)-6'-methyl-7'-anilinofluoran, 2-Anilino-3-methyl-6-(N-ethyl-p-toluidino)fluoran
| Molecular Formula | C36H30N2O3 |
|---|---|
| Molecular Weight | 538.23 g/mol |
| LogP | 8.5 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.22565 |
| Heavy Atoms | 41 |
| Complexity | 913.0 |
Chemical Identifiers
| CAS Number | 59129-79-2 |
|---|---|
| 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=CC=C7)C |
| InChIKey | IXHBSOXJLNEOPY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ETAC (CAS 59129-79-2), with molecular formula C36H30N2O3 and molecular weight 538.23 g/mol. IUPAC: 2'-anilino-6'-(N-ethyl-4-methylanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one.
Chemical Property Profile of ETAC
Property Insights of ETAC
The XLogP value of 8.5 indicates that ETAC is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ETAC exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ETAC 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 ETAC?
The CAS number of ETAC is 59129-79-2.
What is the molecular formula of ETAC?
The molecular formula of ETAC is C36H30N2O3.
What is the molecular weight of ETAC?
The molecular weight of ETAC is 538.23 g/mol.
Where can I buy ETAC?
You can request a quote for ETAC directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ETAC?
Yes, KEHONG BIO provides custom synthesis services for ETAC and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.