Dithiaden
TL;DR: Dithiaden (CAS 58020-20-5) is a chemical compound with molecular formula C17H19NS2 and molecular weight 301.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
Also Known As: Dithiaden, Bisulepin, bisulepine, Dithiadene, Bisulepin [MART.]
| Molecular Formula | C17H19NS2 |
|---|---|
| Molecular Weight | 301.10 g/mol |
| LogP | 4.7372 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.0959 |
| Heavy Atoms | 20 |
| Complexity | 625.4252 |
Chemical Identifiers
| CAS Number | 58020-20-5 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=C(SCC3=CC=CC=C31)SC=C2 |
Product Overview
Dithiaden (CAS 58020-20-5), with molecular formula C17H19NS2 and molecular weight 301.10 g/mol. IUPAC: (3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine.
Chemical Property Profile of Dithiaden
Property Insights of Dithiaden
The XLogP value of 4.7372 indicates that Dithiaden is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Dithiaden exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiaden 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 Dithiaden?
The CAS number of Dithiaden is 58020-20-5.
What is the molecular formula of Dithiaden?
The molecular formula of Dithiaden is C17H19NS2.
What is the molecular weight of Dithiaden?
The molecular weight of Dithiaden is 301.10 g/mol.
Where can I buy Dithiaden?
You can request a quote for Dithiaden directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dithiaden?
Yes, KEHONG BIO provides custom synthesis services for Dithiaden and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.