TL;DR: 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride (CAS 16813-43-7) is a chemical compound with molecular formula C32H32ClF2N3O2 and molecular weight 563.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(2S,4R)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;hydrochloride
Also Known As: 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride, 1-Piperazineethanol,4-[(1aa,6a,10ba)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-yl]-a-[(5-quinolinyloxy)methyl]-,hydrochloride (1:3), (aR)-
| Molecular Formula | C32H32ClF2N3O2 |
| Molecular Weight | 563.2151 g/mol |
| XLogP | 5.6332 |
| Topological Polar Surface Area (TPSA) | 48.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 563.2151 Da |
| Heavy Atoms | 40 |
| Complexity | 806.0 |
| SMILES | C1CN(CCN1CC(COC2=CC=CC3=C2C=CC=N3)O)C4C5=CC=CC=C5[C@H]6[C@H](C6(F)F)C7=CC=CC=C47.Cl |
| InChIKey | VQJFFWJUYDGTQZ-QVSHUPBBSA-N |
The XLogP value of 5.6332 indicates that 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.8 Ų, 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride is 16813-43-7.
The molecular formula of 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride is C32H32ClF2N3O2.
The molecular weight of 1-{4-[(1ar,10bs)-1,1-difluoro-1,1a,6,10b-tetrahydrodibenzo[a,e]cyclopropa[c][7]annulen-6-yl]piperazin-1-yl}-3-(quinolin-5-yloxy)propan-2-ol hydrochloride is 563.2151 g/mol.
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