2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate
TL;DR: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate (CAS 121942-97-0) is a chemical compound with molecular formula C29H33ClN4OS and molecular weight 520.20636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one;hydrochloride
Also Known As: 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate, 1-{3-[4-(2-Methyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)piperazin-1-yl]propyl}-1H-1,3-benzimidazol-2-ol--hydrogen chloride (1/1), 1-{3-[4-(2-Methyl-6,11-dihydrodibenzo[b,e]thiepin-11-yl)piperazin-1-yl]propyl}-1H-benzimidazol-2-ol--hydrogen chloride (1/1), 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride
Technical Specifications
| Molecular Formula | C29H33ClN4OS |
| Molecular Weight | 520.20636 g/mol |
| XLogP | 5.46282 |
| Topological Polar Surface Area (TPSA) | 64.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.20636 Da |
| Heavy Atoms | 36 |
| Complexity | 727.0 |
| SMILES | CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl |
| InChIKey | CSSQUMWLMFVPHX-UHFFFAOYSA-N |
Chemical Property Profile of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate
Property Insights of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate
The XLogP value of 5.46282 indicates that 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate. Following Lipinski's Rule of Five, 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, 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 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate?
The CAS number of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate is 121942-97-0.
What is the molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate?
The molecular formula of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate is C29H33ClN4OS.
What is the molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate?
The molecular weight of 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate is 520.20636 g/mol.
Where can I buy 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate?
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Yes, CoreyChem provides custom synthesis services for 2H-Benzimidazol-2-one, 1,3-dihydro-1-(3-(4-(6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)-1-piperazinyl)propyl)-, monohydrochloride, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.