![9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/488/488095-60-9.png)
9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488095-60-9) is a chemical compound with molecular formula C21H23BrN2O2S and molecular weight 446.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2',2'-dimethyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
Also Known As: 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 9-bromo-2',2'-dimethyl-2-(5-methylthiophen-2-yl)-1,2',3',5',6',10b-hexahydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-pyran], 9-bromo-2',2'-dimethyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
| Molecular Formula | C21H23BrN2O2S |
|---|---|
| Molecular Weight | 446.07 g/mol |
| LogP | 5.64782 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 446.06635 |
| Heavy Atoms | 27 |
| Complexity | 938.0129 |
Chemical Identifiers
| CAS Number | 488095-60-9 |
|---|---|
| SMILES | CC1=CC=C(S1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC35CCOC(C5)(C)C |
Product Overview
9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488095-60-9), with molecular formula C21H23BrN2O2S and molecular weight 446.07 g/mol. IUPAC: 9-bromo-2',2'-dimethyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane].
Chemical Property Profile of 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 5.64782 indicates that 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] 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 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 488095-60-9.
What is the molecular formula of 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C21H23BrN2O2S.
What is the molecular weight of 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 446.07 g/mol.
Where can I buy 9'-bromo-2,2-dimethyl-2'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-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'-(5-methylthiophen-2-yl)-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.