![1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/4887/488793-72-2.webp)
1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
TL;DR: 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488793-72-2) is a chemical compound with molecular formula C28H28BrN3O and molecular weight 501.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-benzyl-9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Also Known As: 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 1'-benzyl-9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine], 1'-benzyl-9-bromo-2-(p-tolyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine], 2-bromo-9-(4-methylphenyl)-14-benzylspiro[10aH-benzo[e]2-pyrazolino[1,5-c]1,3- oxazine-6,4'-piperidine]
| Molecular Formula | C28H28BrN3O |
|---|---|
| Molecular Weight | 501.14 g/mol |
| LogP | 6.29332 |
| Topological Polar Surface Area | 28.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 501.14157 |
| Heavy Atoms | 33 |
| Complexity | 1183.5242 |
Chemical Identifiers
| CAS Number | 488793-72-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCN(CC5)CC6=CC=CC=C6 |
Product Overview
1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488793-72-2), with molecular formula C28H28BrN3O and molecular weight 501.14 g/mol. IUPAC: 1'-benzyl-9-bromo-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
Chemical Property Profile of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Property Insights of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 6.29332 indicates that 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.07 Ų, 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The CAS number of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 488793-72-2.
What is the molecular formula of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular formula of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C28H28BrN3O.
What is the molecular weight of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular weight of 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 501.14 g/mol.
Where can I buy 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
You can request a quote for 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
Yes, KEHONG BIO provides custom synthesis services for 1-benzyl-9'-bromo-2'-(4-methylphenyl)-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.