![1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone structure](/static/products/890/890096-72-7.png)
1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
TL;DR: 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone (CAS 890096-72-7) is a chemical compound with molecular formula C23H22BrF2N3O3 and molecular weight 505.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[9-bromo-2-[4-(difluoromethoxy)phenyl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
Also Known As: 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, 1-[9-bromo-2-[4-(difluoromethoxy)phenyl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone, 1-{9'-bromo-2'-[4-(difluoromethoxy)phenyl]-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl}ethanone
| Molecular Formula | C23H22BrF2N3O3 |
|---|---|
| Molecular Weight | 505.08 g/mol |
| LogP | 4.9326 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 505.08127 |
| Heavy Atoms | 32 |
| Complexity | 1068.6564 |
Chemical Identifiers
| CAS Number | 890096-72-7 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)OC(F)F)C5=C(O2)C=CC(=C5)Br |
Product Overview
1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone (CAS 890096-72-7), with molecular formula C23H22BrF2N3O3 and molecular weight 505.08 g/mol. IUPAC: 1-[9-bromo-2-[4-(difluoromethoxy)phenyl]spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone.
Chemical Property Profile of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
Property Insights of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
The XLogP value of 4.9326 indicates that 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The CAS number of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is 890096-72-7.
What is the molecular formula of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The molecular formula of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is C23H22BrF2N3O3.
What is the molecular weight of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The molecular weight of 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is 505.08 g/mol.
Where can I buy 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
You can request a quote for 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(9-bromo-2-(4-(difluoromethoxy)phenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.