![3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride structure](/static/products/8971/897-15-4.webp)
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride
TL;DR: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride (CAS 897-15-4) 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.
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride
Also Known As: Prothiaden
| Molecular Formula | C19H22ClNS |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 0.26 |
| Topological Polar Surface Area | 29.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.11615 |
| Heavy Atoms | 22 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 897-15-4 |
|---|---|
| SMILES | C[NH+](C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31.[Cl-] |
| InChIKey | XUPZAARQDNSRJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride (CAS 897-15-4), with molecular formula C19H22ClNS and molecular weight 331.12 g/mol. IUPAC: 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride.
Chemical Property Profile of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride
Property Insights of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride. With a topological polar surface area (TPSA) of 29.7 Ų, 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride has 1 hydrogen bond donor(s) and 2 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 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride?
The CAS number of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride is 897-15-4.
What is the molecular formula of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride?
The molecular formula of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride is C19H22ClNS.
What is the molecular weight of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride?
The molecular weight of 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride is 331.12 g/mol.
Where can I buy 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride?
You can request a quote for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(6H-benzo[c][1]benzothiepin-11-ylidene)propyl-dimethylazanium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.