RefChem:339813
TL;DR: RefChem:339813 (CAS 73150-37-5) is a chemical compound with molecular formula C18H22ClNS2 and molecular weight 351.08823 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethylazanium chloride
Also Known As: VUFB-8.066, Ethanamine, 2-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)thio)-N,N-dimethyl-, hydrochloride, 11-(2-Dimethylaminoethylthio)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride, 2-((6,11-Dihydrodibenzo(b,e)thiepin-11-yl)thio)-N,N-dimethylethanamine hydrochloride, 2-(6,11-Dihydrobenzo[c][1]benzothiepin-11-ylsulfanyl)ethyl-dimethylazaniumchloride
Technical Specifications
| Molecular Formula | C18H22ClNS2 |
| Molecular Weight | 351.08823 g/mol |
| XLogP | 0.26 |
| Topological Polar Surface Area (TPSA) | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.08823 Da |
| Heavy Atoms | 22 |
| Complexity | 320.0 |
| SMILES | C[NH+](C)CCSC1C2=CC=CC=C2CSC3=CC=CC=C13.[Cl-] |
| InChIKey | MWYZUWVRTUXKKR-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:339813
Property Insights of RefChem:339813
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:339813. With a topological polar surface area (TPSA) of 55.0 Ų, RefChem:339813 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:339813 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:339813?
The CAS number of RefChem:339813 is 73150-37-5.
What is the molecular formula of RefChem:339813?
The molecular formula of RefChem:339813 is C18H22ClNS2.
What is the molecular weight of RefChem:339813?
The molecular weight of RefChem:339813 is 351.08823 g/mol.
Where can I buy RefChem:339813?
You can request a quote for RefChem:339813 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:339813?
Yes, CoreyChem provides custom synthesis services for RefChem:339813 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.