![9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/489/489402-03-1.png)
9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
TL;DR: 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 489402-03-1) is a chemical compound with molecular formula C23H25BrN2O2 and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2',2'-dimethyl-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
Also Known As: 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 9-bromo-2',2'-dimethyl-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane], 9-bromo-2',2'-dimethyl-2-(p-tolyl)-1,2',3',5',6',10b-hexahydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-pyran]
| Molecular Formula | C23H25BrN2O2 |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 5.58632 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.10995 |
| Heavy Atoms | 28 |
| Complexity | 953.5747 |
Chemical Identifiers
| CAS Number | 489402-03-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCOC(C5)(C)C |
Product Overview
9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 489402-03-1), with molecular formula C23H25BrN2O2 and molecular weight 440.11 g/mol. IUPAC: 9-bromo-2',2'-dimethyl-2-(4-methylphenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane].
Chemical Property Profile of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Property Insights of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 5.58632 indicates that 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-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 34.06 Ų, 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-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, 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-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 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The CAS number of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 489402-03-1.
What is the molecular formula of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular formula of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C23H25BrN2O2.
What is the molecular weight of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular weight of 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 440.11 g/mol.
Where can I buy 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
You can request a quote for 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-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 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
Yes, KEHONG BIO provides custom synthesis services for 9'-bromo-2,2-dimethyl-2'-(4-methylphenyl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.