C26H27NO2S.1/5C4H8O2
TL;DR: C26H27NO2S.1/5C4H8O2 (CAS 85850-74-4) is a chemical compound with molecular formula C26H27NO2S and molecular weight 417.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[2-(dimethylamino)ethoxy]-6-ethylbenzo[b][1]benzothiepin-5-yl]phenol
Also Known As: C26H27NO2S.1/5C4H8O2, 3-(2-(Dimethylamino)ethoxy)-10-ethyl-11-(4-hydroxyphenyl)dibenzo(b,f)thiepin ethyl acetate, C26-H27-N-O2-S.1/5C4-H8-O2, Phenol, p-(7-(2-(dimethylamino)ethoxy)-11-ethyldibenzo(b,f)thiepin-10-yl)-, compd. with ethyl acetate (5:1), 4-(7-(2-(Dimethylamino)ethoxy)-11-ethyldibenzo(b,f)thiepin-10-yl)phenol
| Molecular Formula | C26H27NO2S |
|---|---|
| Molecular Weight | 417.18 g/mol |
| LogP | 6.1663 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.17624 |
| Heavy Atoms | 30 |
| Complexity | 1070.6466 |
Chemical Identifiers
| CAS Number | 85850-74-4 |
|---|---|
| SMILES | CCC1=C(C2=C(C=C(C=C2)OCCN(C)C)SC3=CC=CC=C31)C4=CC=C(C=C4)O |
Product Overview
C26H27NO2S.1/5C4H8O2 (CAS 85850-74-4), with molecular formula C26H27NO2S and molecular weight 417.18 g/mol. IUPAC: 4-[2-[2-(dimethylamino)ethoxy]-6-ethylbenzo[b][1]benzothiepin-5-yl]phenol.
Chemical Property Profile of C26H27NO2S.1/5C4H8O2
Property Insights of C26H27NO2S.1/5C4H8O2
The XLogP value of 6.1663 indicates that C26H27NO2S.1/5C4H8O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, C26H27NO2S.1/5C4H8O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C26H27NO2S.1/5C4H8O2 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 C26H27NO2S.1/5C4H8O2?
The CAS number of C26H27NO2S.1/5C4H8O2 is 85850-74-4.
What is the molecular formula of C26H27NO2S.1/5C4H8O2?
The molecular formula of C26H27NO2S.1/5C4H8O2 is C26H27NO2S.
What is the molecular weight of C26H27NO2S.1/5C4H8O2?
The molecular weight of C26H27NO2S.1/5C4H8O2 is 417.18 g/mol.
Where can I buy C26H27NO2S.1/5C4H8O2?
You can request a quote for C26H27NO2S.1/5C4H8O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C26H27NO2S.1/5C4H8O2?
Yes, KEHONG BIO provides custom synthesis services for C26H27NO2S.1/5C4H8O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.