Dosulepin Sulfone
TL;DR: Dosulepin Sulfone (CAS 25846-81-5) is a chemical compound with molecular formula C19H21NO2S and molecular weight 327.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: Dosulepin Sulfone, Dothiepin-S,S-dioxide, Dosulepin Impurity E, Dosulepin EP Impurity D, Dosulepin Hydrochloride EP Impurity D
| Molecular Formula | C19H21NO2S |
|---|---|
| Molecular Weight | 327.13 g/mol |
| LogP | 3.3573 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.1293 |
| Heavy Atoms | 23 |
| Complexity | 851.1783 |
Chemical Identifiers
| CAS Number | 25846-81-5 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2CS(=O)(=O)C3=CC=CC=C31 |
Product Overview
Dosulepin Sulfone (CAS 25846-81-5), with molecular formula C19H21NO2S and molecular weight 327.13 g/mol. IUPAC: (3E)-3-(5,5-dioxo-6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of Dosulepin Sulfone
Property Insights of Dosulepin Sulfone
The XLogP value of 3.3573 indicates that Dosulepin Sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.38 Ų, Dosulepin Sulfone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dosulepin Sulfone has 0 hydrogen bond donor(s) and 3 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 Dosulepin Sulfone?
The CAS number of Dosulepin Sulfone is 25846-81-5.
What is the molecular formula of Dosulepin Sulfone?
The molecular formula of Dosulepin Sulfone is C19H21NO2S.
What is the molecular weight of Dosulepin Sulfone?
The molecular weight of Dosulepin Sulfone is 327.13 g/mol.
Where can I buy Dosulepin Sulfone?
You can request a quote for Dosulepin Sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dosulepin Sulfone?
Yes, KEHONG BIO provides custom synthesis services for Dosulepin Sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.