4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol
TL;DR: 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol (CAS 81705-07-9) is a chemical compound with molecular formula C21H18O3S3 and molecular weight 414.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,6-bis(4-hydroxyphenyl)-1,3,5-trithian-2-yl]phenol
Also Known As: 1,3,5-Trithiane,phenol deriv., 4-[4,6-bis(4-hydroxyphenyl)-1,3,5-trithian-2-yl]phenol, Phenol, 4,4',4''-(1,3,5-trithiane-2,4,6-triyl)tris-, 4,4',4''-(1,3,5-trithiane-2,4,6-triyl)triphenol, Phenol,4',4''-(1,3,5-trithiane-2,4,6-triyl)tris-
| Molecular Formula | C21H18O3S3 |
|---|---|
| Molecular Weight | 414.04 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.0418 |
| Heavy Atoms | 27 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 81705-07-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2SC(SC(S2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)O |
| InChIKey | DYURQQALJHDBKQ-UHFFFAOYSA-N |
Product Overview
4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol (CAS 81705-07-9), with molecular formula C21H18O3S3 and molecular weight 414.04 g/mol. IUPAC: 4-[4,6-bis(4-hydroxyphenyl)-1,3,5-trithian-2-yl]phenol.
Chemical Property Profile of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol
Property Insights of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol
The XLogP value of 5.8 indicates that 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol. Following Lipinski's Rule of Five, 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol?
The CAS number of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol is 81705-07-9.
What is the molecular formula of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol?
The molecular formula of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol is C21H18O3S3.
What is the molecular weight of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol?
The molecular weight of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol is 414.04 g/mol.
Where can I buy 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol?
You can request a quote for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)triphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.