3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol
TL;DR: 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol (CAS 85850-92-6) is a chemical compound with molecular formula C26H26O3S and molecular weight 418.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol
Also Known As: C26H26O3S.1/4H2O, C26-H26-O3-S.1/4H2-O, 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol, 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol hydrate (4:1), 1,2-Propanediol, 3-((11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-, hydrate (4:1)
| Molecular Formula | C26H26O3S |
|---|---|
| Molecular Weight | 418.16 g/mol |
| LogP | 5.3934 |
| Topological Polar Surface Area | 49.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.16028 |
| Heavy Atoms | 30 |
| Complexity | 1043.1542 |
Chemical Identifiers
| CAS Number | 85850-92-6 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(C=C(C=C2)OCC(CO)O)SCC3=CC=CC=C31)\C4=CC=CC=C4 |
Product Overview
3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol (CAS 85850-92-6), with molecular formula C26H26O3S and molecular weight 418.16 g/mol. IUPAC: 3-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]propane-1,2-diol.
Chemical Property Profile of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol
Property Insights of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol
The XLogP value of 5.3934 indicates that 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.69 Ų, 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol?
The CAS number of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol is 85850-92-6.
What is the molecular formula of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol?
The molecular formula of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol is C26H26O3S.
What is the molecular weight of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol?
The molecular weight of 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol is 418.16 g/mol.
Where can I buy 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol?
You can request a quote for 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-((11-Ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.