cis-Dothiepin hydrochloride
TL;DR: cis-Dothiepin hydrochloride (CAS 25627-39-8) is a chemical compound with molecular formula C19H22ClNS and molecular weight 331.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: Prothiaden, Dothiepin HCl, Dosulepine, Prothiadene, Prothiadiene
| Molecular Formula | C19H22ClNS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 5.0975 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.11615 |
| Heavy Atoms | 22 |
| Complexity | 614.4897 |
Chemical Identifiers
| CAS Number | 25627-39-8 |
|---|---|
| SMILES | CN(C)CC/C=C\1/C2=CC=CC=C2CSC3=CC=CC=C31.Cl |
Product Overview
cis-Dothiepin hydrochloride (CAS 25627-39-8), with molecular formula C19H22ClNS and molecular weight 331.12 g/mol. IUPAC: (3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of cis-Dothiepin hydrochloride
Property Insights of cis-Dothiepin hydrochloride
The XLogP value of 5.0975 indicates that cis-Dothiepin 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, cis-Dothiepin hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-Dothiepin hydrochloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of cis-Dothiepin hydrochloride?
The CAS number of cis-Dothiepin hydrochloride is 25627-39-8.
What is the molecular formula of cis-Dothiepin hydrochloride?
The molecular formula of cis-Dothiepin hydrochloride is C19H22ClNS.
What is the molecular weight of cis-Dothiepin hydrochloride?
The molecular weight of cis-Dothiepin hydrochloride is 331.12 g/mol.
Where can I buy cis-Dothiepin hydrochloride?
You can request a quote for cis-Dothiepin hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Dothiepin hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for cis-Dothiepin hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.