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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 structure
Fine Chemical

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

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)-

CAS Number
16813-43-7
Molecular Formula
C32H32ClF2N3O2
Molecular Weight
563.2151 g/mol
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Technical Specifications

Molecular FormulaC32H32ClF2N3O2
Molecular Weight563.2151 g/mol
XLogP5.6332
Topological Polar Surface Area (TPSA)48.8 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass563.2151 Da
Heavy Atoms40
Complexity806.0
SMILESC1CN(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
InChIKeyVQJFFWJUYDGTQZ-QVSHUPBBSA-N

Chemical Property Profile 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

XLogP
5.6332
TPSA (Topological Polar Surface Area)
48.8
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
40
Complexity
806.0
Exact Mass
563.2151
Monoisotopic Mass
563.2151
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights 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

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.

Frequently Asked Questions

What is 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?

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.

What is 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?

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.

What is 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?

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.

Where can I buy 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?

You can request a quote for 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 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 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?

Yes, CoreyChem provides custom synthesis services for 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 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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