Dithiaden S-oxide
TL;DR: Dithiaden S-oxide (CAS 11119-70-3) is a chemical compound with molecular formula C17H19NOS2 and molecular weight 317.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol
Also Known As: Dithiaden S-oxide, Dithiadenoxide, Chromium lead oxide, (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol, 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-yildene-, S-oxide
| Molecular Formula | C17H19NOS2 |
|---|---|
| Molecular Weight | 317.09 g/mol |
| LogP | 4.2281 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.09082 |
| Heavy Atoms | 21 |
| Complexity | 660.31464 |
Chemical Identifiers
| CAS Number | 11119-70-3 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=C(SC=C2)SC(C3=CC=CC=C31)O |
Product Overview
Dithiaden S-oxide (CAS 11119-70-3), with molecular formula C17H19NOS2 and molecular weight 317.09 g/mol. IUPAC: (10E)-10-[3-(dimethylamino)propylidene]-5H-thieno[2,3-c][2]benzothiepin-5-ol.
Chemical Property Profile of Dithiaden S-oxide
Property Insights of Dithiaden S-oxide
The XLogP value of 4.2281 indicates that Dithiaden S-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, Dithiaden S-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiaden S-oxide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiaden S-oxide?
The CAS number of Dithiaden S-oxide is 11119-70-3.
What is the molecular formula of Dithiaden S-oxide?
The molecular formula of Dithiaden S-oxide is C17H19NOS2.
What is the molecular weight of Dithiaden S-oxide?
The molecular weight of Dithiaden S-oxide is 317.09 g/mol.
Where can I buy Dithiaden S-oxide?
You can request a quote for Dithiaden S-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiaden S-oxide?
Yes, KEHONG BIO provides custom synthesis services for Dithiaden S-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.