RefChem:337110
TL;DR: RefChem:337110 (CAS 82394-13-6) is a chemical compound with molecular formula C18H22ClNOS and molecular weight 335.11105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-dimethylazanium chloride
Also Known As: Dibenzo(b,e)thiepin-11-methanamine, 6,11-dihydro-N,N-dimethyl-4-methoxy-, hydrochloride, 4-Methoxy-11-(dimethylaminomethyl)-6,11-dihydrodibenzo(b,e)thiepin hydrochloride, 6,11-Dihydro-N,N-dimethyl-4-methoxydibenzo(b,e)thiepin-11-methanamine hydrochloride, (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-dimethylazanium chloride, (4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)methyl-dimethylazanium,chloride
Technical Specifications
| Molecular Formula | C18H22ClNOS |
| Molecular Weight | 335.11105 g/mol |
| XLogP | -0.42 |
| Topological Polar Surface Area (TPSA) | 39.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.11105 Da |
| Heavy Atoms | 22 |
| Complexity | 335.0 |
| SMILES | C[NH+](C)CC1C2=C(C(=CC=C2)OC)SCC3=CC=CC=C13.[Cl-] |
| InChIKey | AYNQVKLMLUOEGL-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:337110
Property Insights of RefChem:337110
The XLogP value of -0.42 indicates that RefChem:337110 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 39.0 Ų, RefChem:337110 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:337110 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:337110?
The CAS number of RefChem:337110 is 82394-13-6.
What is the molecular formula of RefChem:337110?
The molecular formula of RefChem:337110 is C18H22ClNOS.
What is the molecular weight of RefChem:337110?
The molecular weight of RefChem:337110 is 335.11105 g/mol.
Where can I buy RefChem:337110?
You can request a quote for RefChem:337110 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:337110?
Yes, CoreyChem provides custom synthesis services for RefChem:337110 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.