3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
TL;DR: 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin (CAS 85850-79-9) is a chemical compound with molecular formula C27H29NOS and molecular weight 415.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]-N,N-dimethylethanamine
Also Known As: 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin, 6H-DIBENZO(b,f)THIOCIN, 3-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-12-PHENYL-, Ethylamine, N,N-dimethyl-2-((11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin-3-yl)oxy)-, 2-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]-N,N-dimethylethanamine, ETHANAMINE, 2-((11-ETHYL-12-PHENYL-6H-DIBENZO(B,F)THIOCIN-3-YL)OXY)-N,N-DIMETHYL-
| Molecular Formula | C27H29NOS |
|---|---|
| Molecular Weight | 415.20 g/mol |
| LogP | 6.6018 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 415.197 |
| Heavy Atoms | 30 |
| Complexity | 1039.7385 |
Chemical Identifiers
| CAS Number | 85850-79-9 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(C=C(C=C2)OCCN(C)C)SCC3=CC=CC=C31)\C4=CC=CC=C4 |
Product Overview
3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin (CAS 85850-79-9), with molecular formula C27H29NOS and molecular weight 415.20 g/mol. IUPAC: 2-[[(11Z)-11-ethyl-12-phenyl-6H-benzo[c][1]benzothiocin-3-yl]oxy]-N,N-dimethylethanamine.
Chemical Property Profile of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
Property Insights of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin
The XLogP value of 6.6018 indicates that 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.47 Ų, 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin 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 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin?
The CAS number of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin is 85850-79-9.
What is the molecular formula of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin?
The molecular formula of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin is C27H29NOS.
What is the molecular weight of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin?
The molecular weight of 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin is 415.20 g/mol.
Where can I buy 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin?
You can request a quote for 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Dimethylamino)ethoxy)-11-ethyl-12-phenyl-6H-dibenzo(b,f)thiocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.