trans-Prothiadene hydrochloride
TL;DR: trans-Prothiadene hydrochloride (CAS 25627-36-5) 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.
[(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride
Also Known As: Dosulepin, Dothiepin hydrochloride, trans-Prothiadene hydrochloride, trans-dothiepin hydrochloride, [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium;chloride
| Molecular Formula | C19H22ClNS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 0.2626 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.11615 |
| Heavy Atoms | 22 |
| Complexity | 614.4897 |
Chemical Identifiers
| CAS Number | 25627-36-5 |
|---|---|
| SMILES | C[NH+](C)CC/C=C/1\C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-] |
Product Overview
trans-Prothiadene hydrochloride (CAS 25627-36-5), with molecular formula C19H22ClNS and molecular weight 331.12 g/mol. IUPAC: [(3E)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of trans-Prothiadene hydrochloride
Property Insights of trans-Prothiadene hydrochloride
The XLogP value of 0.2626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-Prothiadene hydrochloride. With a topological polar surface area (TPSA) of 4.44 Ų, trans-Prothiadene hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Prothiadene hydrochloride has 1 hydrogen bond donor(s) and 1 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 trans-Prothiadene hydrochloride?
The CAS number of trans-Prothiadene hydrochloride is 25627-36-5.
What is the molecular formula of trans-Prothiadene hydrochloride?
The molecular formula of trans-Prothiadene hydrochloride is C19H22ClNS.
What is the molecular weight of trans-Prothiadene hydrochloride?
The molecular weight of trans-Prothiadene hydrochloride is 331.12 g/mol.
Where can I buy trans-Prothiadene hydrochloride?
You can request a quote for trans-Prothiadene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Prothiadene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for trans-Prothiadene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.