Dothiepin sulfoxide
TL;DR: Dothiepin sulfoxide (CAS 42046-35-5) is a chemical compound with molecular formula C19H21NOS and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Also Known As: Dothiepin sulfoxide, Dosulepin Impurity A, Dothiepin S-oxide, Dosulepin sulfoxide, Dosulepin S-oxide
| Molecular Formula | C19H21NOS |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 3.6912 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1344 |
| Heavy Atoms | 22 |
| Complexity | 733.72 |
Chemical Identifiers
| CAS Number | 42046-35-5 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2CS(=O)C3=CC=CC=C31 |
Product Overview
Dothiepin sulfoxide (CAS 42046-35-5), with molecular formula C19H21NOS and molecular weight 311.13 g/mol. IUPAC: (3E)-N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine.
Chemical Property Profile of Dothiepin sulfoxide
Property Insights of Dothiepin sulfoxide
The XLogP value of 3.6912 indicates that Dothiepin sulfoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Dothiepin sulfoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dothiepin sulfoxide has 0 hydrogen bond donor(s) and 2 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 Dothiepin sulfoxide?
The CAS number of Dothiepin sulfoxide is 42046-35-5.
What is the molecular formula of Dothiepin sulfoxide?
The molecular formula of Dothiepin sulfoxide is C19H21NOS.
What is the molecular weight of Dothiepin sulfoxide?
The molecular weight of Dothiepin sulfoxide is 311.13 g/mol.
Where can I buy Dothiepin sulfoxide?
You can request a quote for Dothiepin sulfoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dothiepin sulfoxide?
Yes, KEHONG BIO provides custom synthesis services for Dothiepin sulfoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.