度硫平
TL;DR: 度硫平 (CAS 113-53-1) is a chemical compound with molecular formula C19H21NS and molecular weight 295.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
度硫平
3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: Dothiepin, Dosulepin, Dosulepina, Dosulepine, Dosulepinum
| Molecular Formula | C19H21NS |
|---|---|
| Molecular Weight | 295.14 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.13947 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
| Melting Point | 55-57 °C |
| Boiling Point | 171-172 °C |
| Solubility | In water, 1.5 mg/L @ 25 °C /Estimated/ |
| Vapor Pressure | 4.3X10-7 mm Hg @ 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 113-53-1 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31 |
| InChIKey | PHTUQLWOUWZIMZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
度硫平 (CAS 113-53-1), with molecular formula C19H21NS and molecular weight 295.14 g/mol. IUPAC: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 度硫平
Property Insights of 度硫平
The XLogP value of 4.5 indicates that Dothiepin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 度硫平 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dothiepin 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?
The CAS number of Dothiepin is 113-53-1.
What is the molecular formula of Dothiepin?
The molecular formula of Dothiepin is C19H21NS.
What is the molecular weight of Dothiepin?
The molecular weight of Dothiepin is 295.14 g/mol.
Where can I buy Dothiepin?
You can request a quote for Dothiepin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dothiepin?
Yes, KEHONG BIO provides custom synthesis services for Dothiepin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.