![2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/488/488094-16-2.png)
2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
TL;DR: 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488094-16-2) is a chemical compound with molecular formula C28H26BrN3O3 and molecular weight 531.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-1'-benzyl-9-bromospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Also Known As: 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 2-(1,3-benzodioxol-5-yl)-1'-benzyl-9-bromospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine], 2-(benzo[d][1,3]dioxol-5-yl)-1'-benzyl-9-bromo-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine]
| Molecular Formula | C28H26BrN3O3 |
|---|---|
| Molecular Weight | 531.12 g/mol |
| LogP | 5.7136 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.1157 |
| Heavy Atoms | 35 |
| Complexity | 1304.0546 |
Chemical Identifiers
| CAS Number | 488094-16-2 |
|---|---|
| SMILES | C1CN(CCC12N3C(CC(=N3)C4=CC5=C(C=C4)OCO5)C6=C(O2)C=CC(=C6)Br)CC7=CC=CC=C7 |
Product Overview
2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488094-16-2), with molecular formula C28H26BrN3O3 and molecular weight 531.12 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-1'-benzyl-9-bromospiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
Chemical Property Profile of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Property Insights of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 5.7136 indicates that 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-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 46.53 Ų, 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-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, 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The CAS number of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 488094-16-2.
What is the molecular formula of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular formula of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C28H26BrN3O3.
What is the molecular weight of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular weight of 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 531.12 g/mol.
Where can I buy 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
You can request a quote for 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-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 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
Yes, KEHONG BIO provides custom synthesis services for 2'-(1,3-benzodioxol-5-yl)-1-benzyl-9'-bromo-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.