2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride
TL;DR: 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride (CAS 121984-78-9) is a chemical compound with molecular formula C29H34Cl2N4OS2 and molecular weight 588.1551 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one;dihydrochloride
Also Known As: 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride, 1-(3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propyl)-1H-1,3-benzimidazol-2-ol--hydrogen chloride (1/2), 1-(3-{4-[8-(Methylsulfanyl)-10,11-dihydrodibenzo[b,f]thiepin-10-yl]piperazin-1-yl}propyl)-1H-benzimidazol-2-ol--hydrogen chloride (1/2), 3-[3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride
Technical Specifications
| Molecular Formula | C29H34Cl2N4OS2 |
| Molecular Weight | 588.1551 g/mol |
| XLogP | 6.3514 |
| Topological Polar Surface Area (TPSA) | 89.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.1551 Da |
| Heavy Atoms | 38 |
| Complexity | 747.0 |
| SMILES | CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O.Cl.Cl |
| InChIKey | YNEQDRITOZMKAT-UHFFFAOYSA-N |
Chemical Property Profile of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride
Property Insights of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride
The XLogP value of 6.3514 indicates that 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride. Following Lipinski's Rule of Five, 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride has 3 hydrogen bond donor(s) and 5 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-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride?
The CAS number of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride is 121984-78-9.
What is the molecular formula of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride?
The molecular formula of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride is C29H34Cl2N4OS2.
What is the molecular weight of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride?
The molecular weight of 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride is 588.1551 g/mol.
Where can I buy 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride?
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Does CoreyChem offer custom synthesis for 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 2H-Benzimidazol-2-one, 1-(3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl)-1,3-dihydro-,dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.