p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate
TL;DR: p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate (CAS 85850-88-0) is a chemical compound with molecular formula C26H24O2S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(11Z)-11-ethyl-3-prop-2-enoxy-6H-benzo[c][1]benzothiocin-12-yl]phenol
Also Known As: C26H24O2S.1/2H2O, C26-H24-O2-S.1/2H2-O, p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate, Phenol, p-(3-(allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)-, hemihydrate, 4-(11-Ethyl-3-(2-propen-1-yloxy)-6H-dibenzo(b,f)thiocin-12-yl)phenol
| Molecular Formula | C26H24O2S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 6.9318 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1497 |
| Heavy Atoms | 29 |
| Complexity | 1064.3214 |
Chemical Identifiers
| CAS Number | 85850-88-0 |
|---|---|
| SMILES | CC/C/1=C(/C2=C(C=C(C=C2)OCC=C)SCC3=CC=CC=C31)\C4=CC=C(C=C4)O |
Product Overview
p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate (CAS 85850-88-0), with molecular formula C26H24O2S and molecular weight 400.15 g/mol. IUPAC: 4-[(11Z)-11-ethyl-3-prop-2-enoxy-6H-benzo[c][1]benzothiocin-12-yl]phenol.
Chemical Property Profile of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate
Property Insights of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate
The XLogP value of 6.9318 indicates that p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.46 Ų, p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate has 1 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 p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate?
The CAS number of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate is 85850-88-0.
What is the molecular formula of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate?
The molecular formula of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate is C26H24O2S.
What is the molecular weight of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate?
The molecular weight of p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate is 400.15 g/mol.
Where can I buy p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate?
You can request a quote for p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for p-(3-(Allyloxy)-11-ethyl-6H-dibenzo(b,f)thiocin-12-yl)phenol hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.