RefChem:372028
TL;DR: RefChem:372028 (CAS 101041-02-5) is a chemical compound with molecular formula C26H29Cl3N2S2 and molecular weight 538.0838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenylsulfanylethyl)piperazine;dihydrochloride
Also Known As: 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)piperazine, 1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenylthio)ethyl piperazine 2HCl, Piperazine, 1-(2-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-(phenylthio)ethyl)-, dihydrochloride, 1-(2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-[2-(phenylsulfanyl)ethyl]piperazine--hydrogen chloride (1/2), 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-(2-phenylsulfanylethyl)piperazine dihydrochloride
Technical Specifications
| Molecular Formula | C26H29Cl3N2S2 |
| Molecular Weight | 538.0838 g/mol |
| XLogP | 7.3419 |
| Topological Polar Surface Area (TPSA) | 57.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 538.0838 Da |
| Heavy Atoms | 33 |
| Complexity | 550.0 |
| SMILES | C1CN(CCN1CCSC2=CC=CC=C2)C3CC4=C(C=CC(=C4)Cl)SC5=CC=CC=C35.Cl.Cl |
| InChIKey | IHYDDSCAEDLYAB-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:372028
Property Insights of RefChem:372028
The XLogP value of 7.3419 indicates that RefChem:372028 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.1 Ų, RefChem:372028 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:372028 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:372028?
The CAS number of RefChem:372028 is 101041-02-5.
What is the molecular formula of RefChem:372028?
The molecular formula of RefChem:372028 is C26H29Cl3N2S2.
What is the molecular weight of RefChem:372028?
The molecular weight of RefChem:372028 is 538.0838 g/mol.
Where can I buy RefChem:372028?
You can request a quote for RefChem:372028 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:372028?
Yes, CoreyChem provides custom synthesis services for RefChem:372028 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.