4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol
TL;DR: 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol (CAS 85850-81-3) is a chemical compound with molecular formula C27H29NO2S and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol
Also Known As: C27H29NO2S.1/4H2O, C27-H29-N-O2-S.1/4H2-O, 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol, Phenol, p-(3-(2-(dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)-, hydrate (4:1), PHENOL, P-(3-(2-(DIMETHYLAMINO)ETHOXY)-11-ETHYL-6H-
| Molecular Formula | C27H29NO2S |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 6.3074 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.1919 |
| Heavy Atoms | 31 |
| Complexity | 1086.6455 |
Chemical Identifiers
| CAS Number | 85850-81-3 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(C=C(C=C2)OCCN(C)C)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O |
Product Overview
4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol (CAS 85850-81-3), with molecular formula C27H29NO2S and molecular weight 431.19 g/mol. IUPAC: 4-[(11Z)-3-[2-(dimethylamino)ethoxy]-11-ethyl-6H-benzo[c][1]benzothiocin-12-yl]phenol.
Chemical Property Profile of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol
Property Insights of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol
The XLogP value of 6.3074 indicates that 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol has 1 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 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol?
The CAS number of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol is 85850-81-3.
What is the molecular formula of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol?
The molecular formula of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol is C27H29NO2S.
What is the molecular weight of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol?
The molecular weight of 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol is 431.19 g/mol.
Where can I buy 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol?
You can request a quote for 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(2-(Dimethylamino)ethoxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.