Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate
TL;DR: Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate (CAS 5560-69-0) is a chemical compound with molecular formula C20H28O3S and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,6-ditert-butylnaphthalene-1-sulfonate
Also Known As: ETHYL DIBUNATE, Neodyne, Tussets, Aethyli dibunas, ethyldibunate
| Molecular Formula | C20H28O3S |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1759 |
| Heavy Atoms | 24 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 5560-69-0 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=C2C=CC(=CC2=CC(=C1)C(C)(C)C)C(C)(C)C |
| InChIKey | ZAMACTJOCIFTPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate (CAS 5560-69-0), with molecular formula C20H28O3S and molecular weight 348.18 g/mol. IUPAC: ethyl 3,6-ditert-butylnaphthalene-1-sulfonate.
Chemical Property Profile of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate
Property Insights of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate
The XLogP value of 6.2 indicates that Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate?
The CAS number of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate is 5560-69-0.
What is the molecular formula of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate?
The molecular formula of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate is C20H28O3S.
What is the molecular weight of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate?
The molecular weight of Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate is 348.18 g/mol.
Where can I buy Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate?
You can request a quote for Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,6-bis(1,1-dimethylethyl)-1-naphthalenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.