Bisulepin hydrochloride
TL;DR: Bisulepin hydrochloride (CAS 42505-74-8) 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.
(3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride
Also Known As: Dithiadene, Dithiaden, Bisulepin hydrochloride, Dithiaden hydrochloride, BISULEPIN HCL
| Molecular Formula | C17H20ClNS2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 5.159 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.07257 |
| Heavy Atoms | 21 |
| Complexity | 631.2253 |
Chemical Identifiers
| CAS Number | 42505-74-8 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=C(SCC3=CC=CC=C31)SC=C2.Cl |
Product Overview
Bisulepin hydrochloride (CAS 42505-74-8), with molecular formula C17H20ClNS2 and molecular weight 337.07 g/mol. IUPAC: (3E)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of Bisulepin hydrochloride
Property Insights of Bisulepin hydrochloride
The XLogP value of 5.159 indicates that Bisulepin hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, Bisulepin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bisulepin hydrochloride has 0 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 Bisulepin hydrochloride?
The CAS number of Bisulepin hydrochloride is 42505-74-8.
What is the molecular formula of Bisulepin hydrochloride?
The molecular formula of Bisulepin hydrochloride is C17H20ClNS2.
What is the molecular weight of Bisulepin hydrochloride?
The molecular weight of Bisulepin hydrochloride is 337.07 g/mol.
Where can I buy Bisulepin hydrochloride?
You can request a quote for Bisulepin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bisulepin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Bisulepin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.