RefChem:216216
TL;DR: RefChem:216216 (CAS 117125-52-7) is a chemical compound with molecular formula C18H24Cl2N2S and molecular weight 370.10373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N',N'-dimethylethane-1,2-diamine;dihydrochloride
Also Known As: C18H22N2S.2ClH.1/2H2O, N-(6,11-Dihydrodibenzo(b,e)thiepin-11-yl)-N',N'-dimethylethylenediamine 2HCl hemihydrate, C18-H22-N2-S.2Cl-H.1/2H2-O, 1,2-Ethanediamine, N'-(6,11-dihydrodibenzo(b,e)thiepin-11-yl)-N,N-dimethyl-, dihydrochloride, hemihydrate, N-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N',N'-dimethylethane-1,2-diamine dihydrochloride
Technical Specifications
| Molecular Formula | C18H24Cl2N2S |
| Molecular Weight | 370.10373 g/mol |
| XLogP | 4.3765 |
| Topological Polar Surface Area (TPSA) | 40.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.10373 Da |
| Heavy Atoms | 23 |
| Complexity | 320.0 |
| SMILES | CN(C)CCNC1C2=CC=CC=C2CSC3=CC=CC=C13.Cl.Cl |
| InChIKey | ZPCMBEHODMDWHP-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:216216
Property Insights of RefChem:216216
The XLogP value of 4.3765 indicates that RefChem:216216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, RefChem:216216 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:216216 has 3 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:216216?
The CAS number of RefChem:216216 is 117125-52-7.
What is the molecular formula of RefChem:216216?
The molecular formula of RefChem:216216 is C18H24Cl2N2S.
What is the molecular weight of RefChem:216216?
The molecular weight of RefChem:216216 is 370.10373 g/mol.
Where can I buy RefChem:216216?
You can request a quote for RefChem:216216 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:216216?
Yes, CoreyChem provides custom synthesis services for RefChem:216216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.