3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride
TL;DR: 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride (CAS 157596-41-3) is a chemical compound with molecular formula C27H32ClN3O3 and molecular weight 481.21323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
Also Known As: 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride, 1-[(Z)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol hydrochloride
Technical Specifications
| Molecular Formula | C27H32ClN3O3 |
| Molecular Weight | 481.21323 g/mol |
| XLogP | 4.1202 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 481.21323 Da |
| Heavy Atoms | 34 |
| Complexity | 651.0 |
| SMILES | COC1=CC=CC=C1N2CCN(CC2)CC(CO/N=C\3/CCC4=C3C=CC5=CC=CC=C45)O.Cl |
| InChIKey | DRENCKIJMPKLGE-WLNXZIBISA-N |
Chemical Property Profile of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride
Property Insights of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride
The XLogP value of 4.1202 indicates that 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride?
The CAS number of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride is 157596-41-3.
What is the molecular formula of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride?
The molecular formula of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride is C27H32ClN3O3.
What is the molecular weight of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride?
The molecular weight of 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride is 481.21323 g/mol.
Where can I buy 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride?
You can request a quote for 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 3H-Benz(e)inden-3-one, 1,2-dihydro-, O-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)oxime, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.