EINECS 213-593-8
TL;DR: EINECS 213-593-8 (CAS 992-55-2) is a chemical compound with molecular formula C39H59N3O4S and molecular weight 665.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-[[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-6-octylsulfanyl-1,3,5-triazin-2-yl]oxy]phenol
Also Known As: 4,4'-((6-(Octylthio)-1,3,5-triazine-2,4-diyl)bis(oxy))bis(2,6-di-tert-butylphenol), 4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-di-tert-butylphenol], 2,6-ditert-butyl-4-[[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-6-octylsulfanyl-1,3,5-triazin-2-yl]oxy]phenol, 4,4'-{[6-(Octylsulfanyl)-1,3,5-triazine-2,4-diyl]bis(oxy)}bis(2,6-di-tert-butylphenol), Phenol, 4,4'-[[6-(octylthio)-s-triazine-2,4-diyl]dioxy]bis[2,6-di-tert-butyl-
| Molecular Formula | C39H59N3O4S |
|---|---|
| Molecular Weight | 665.42 g/mol |
| LogP | 13.9 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 665.4226 |
| Heavy Atoms | 47 |
| Complexity | 811.0 |
Chemical Identifiers
| CAS Number | 992-55-2 |
|---|---|
| SMILES | CCCCCCCCSC1=NC(=NC(=N1)OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | JMCKNCBUBGMWAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
EINECS 213-593-8 (CAS 992-55-2), with molecular formula C39H59N3O4S and molecular weight 665.42 g/mol. IUPAC: 2,6-ditert-butyl-4-[[4-(3,5-ditert-butyl-4-hydroxyphenoxy)-6-octylsulfanyl-1,3,5-triazin-2-yl]oxy]phenol.
Chemical Property Profile of EINECS 213-593-8
Property Insights of EINECS 213-593-8
The XLogP value of 13.9 indicates that EINECS 213-593-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 213-593-8. Following Lipinski's Rule of Five, EINECS 213-593-8 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 213-593-8?
The CAS number of EINECS 213-593-8 is 992-55-2.
What is the molecular formula of EINECS 213-593-8?
The molecular formula of EINECS 213-593-8 is C39H59N3O4S.
What is the molecular weight of EINECS 213-593-8?
The molecular weight of EINECS 213-593-8 is 665.42 g/mol.
Where can I buy EINECS 213-593-8?
You can request a quote for EINECS 213-593-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 213-593-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 213-593-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.