Dithiaden
TL;DR: Dithiaden (CAS 1154-12-7) is a chemical compound with molecular formula C17H20ClNS2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Also Known As: Dithiaden, Dithiaden hydrochloride, Dithiadene hydrochloride, Bisulepin hydrochloride, (dimethyl)[3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropyl]ammonium chloride
| Molecular Formula | C17H20ClNS2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 5.16 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07257 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 1154-12-7 |
|---|---|
| SMILES | CN(C)CCC=C1C2=C(SCC3=CC=CC=C31)SC=C2.Cl |
| InChIKey | KTFGSVWWMYCIJB-UHFFFAOYSA-N |
Product Overview
Dithiaden (CAS 1154-12-7), with molecular formula C17H20ClNS2 and molecular weight 337.07 g/mol. IUPAC: N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of Dithiaden
Property Insights of Dithiaden
The XLogP value of 5.16 indicates that Dithiaden is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.8 Ų, Dithiaden exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dithiaden has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dithiaden?
The CAS number of Dithiaden is 1154-12-7.
What is the molecular formula of Dithiaden?
The molecular formula of Dithiaden is C17H20ClNS2.
What is the molecular weight of Dithiaden?
The molecular weight of Dithiaden is 337.07 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.