Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate
TL;DR: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate (CAS 101040-86-2) is a chemical compound with molecular formula C26H29Cl3N2OS and molecular weight 522.1066 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-5-yl)-4-(2-phenoxyethyl)piperazine;dihydrochloride
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenoxyethyl)piperazine dihydrochloride, 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(2-phenoxyethyl)piperazine,dihydrochloride, 1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(2-phenoxyethyl)piperazine--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C26H29Cl3N2OS |
| Molecular Weight | 522.1066 g/mol |
| XLogP | 6.6286 |
| Topological Polar Surface Area (TPSA) | 41.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 522.1066 Da |
| Heavy Atoms | 33 |
| Complexity | 552.0 |
| SMILES | C1CN(CCN1CCOC2=CC=CC=C2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl.Cl |
| InChIKey | LPQQWHXFTMLTMN-UHFFFAOYSA-N |
Chemical Property Profile of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate
Property Insights of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate
The XLogP value of 6.6286 indicates that Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.0 Ų, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate 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 Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate?
The CAS number of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate is 101040-86-2.
What is the molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate?
The molecular formula of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate is C26H29Cl3N2OS.
What is the molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate?
The molecular weight of Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate is 522.1066 g/mol.
Where can I buy Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate?
You can request a quote for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate?
Yes, CoreyChem provides custom synthesis services for Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl)-, dihydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.