2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
TL;DR: 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione (CAS 5216-87-5) is a chemical compound with molecular formula C26H44O4S and molecular weight 452.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5, 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione, 2-Ethoxy-6-(hexadecylsulfanyl)-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C26H44O4S |
|---|---|
| Molecular Weight | 452.30 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 19 |
| Exact Mass | 452.29602 |
| Heavy Atoms | 31 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 5216-87-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OCC)OC)C |
| InChIKey | WNHNZSUHYPTEHN-UHFFFAOYSA-N |
Product Overview
2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione (CAS 5216-87-5), with molecular formula C26H44O4S and molecular weight 452.30 g/mol. IUPAC: 2-ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
Property Insights of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione
The XLogP value of 9.6 indicates that 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione. Following Lipinski's Rule of Five, 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione has 0 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-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The CAS number of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is 5216-87-5.
What is the molecular formula of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The molecular formula of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is C26H44O4S.
What is the molecular weight of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
The molecular weight of 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione is 452.30 g/mol.
Where can I buy 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
You can request a quote for 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-6-hexadecylsulfanyl-3-methoxy-5-methylcyclohexa-2,5-diene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.