N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O
TL;DR: N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O (CAS 117125-49-2) is a chemical compound with molecular formula C22H29Cl2N3OS and molecular weight 453.14084 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-ylmethyl)-2-(4-methylpiperazin-1-yl)acetamide;dihydrochloride
Also Known As: N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O, 1-Piperazineacetamide, N-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)methyl)-4-methyl-, dihydrochloride, hydrate, N-(6,11-dihydrobenzo[c][1]benzothiepin-11-ylmethyl)-2-(4-methylpiperazin-1-yl)acetamide dihydrochloride, N-[(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)methyl](4-methylpiperazin-1-yl)ethanimidic acid--hydrogen chloride (1/2), N-[(6,11-Dihydrodibenzo[b,e]thiepin-11-yl)methyl]-2-(4-methylpiperazin-1-yl)ethanimidic acid--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C22H29Cl2N3OS |
| Molecular Weight | 453.14084 g/mol |
| XLogP | 3.6314 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.14084 Da |
| Heavy Atoms | 29 |
| Complexity | 494.0 |
| SMILES | CN1CCN(CC1)CC(=O)NCC2C3=CC=CC=C3CSC4=CC=CC=C24.Cl.Cl |
| InChIKey | QSJUCXJGLOOHDH-UHFFFAOYSA-N |
Chemical Property Profile of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O
Property Insights of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O
The XLogP value of 3.6314 indicates that N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O. Following Lipinski's Rule of Five, N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O?
The CAS number of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O is 117125-49-2.
What is the molecular formula of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O?
The molecular formula of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O is C22H29Cl2N3OS.
What is the molecular weight of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O?
The molecular weight of N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O is 453.14084 g/mol.
Where can I buy N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O?
You can request a quote for N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O?
Yes, CoreyChem provides custom synthesis services for N-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylmethyl)-2-(4-methyl-1-piperazinyl)acetamide 2HCl H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.