![9'-bromo-2,2-dimethyl-2'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/488/488094-38-8.png)
9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488094-38-8) is a chemical compound with molecular formula C20H21BrN2O2S and molecular weight 432.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2',2'-dimethyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
Also Known As: 9'-bromo-2,2-dimethyl-2'-(thiophen-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-(thiophen-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-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane]
| Molecular Formula | C20H21BrN2O2S |
|---|---|
| Molecular Weight | 432.05 g/mol |
| LogP | 5.3394 |
| Topological Polar Surface Area | 34.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 432.05072 |
| Heavy Atoms | 26 |
| Complexity | 879.9413 |
Chemical Identifiers
| CAS Number | 488094-38-8 |
|---|---|
| SMILES | CC1(CC2(CCO1)N3C(CC(=N3)C4=CC=CS4)C5=C(O2)C=CC(=C5)Br)C |
Product Overview
9'-bromo-2,2-dimethyl-2'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 488094-38-8), with molecular formula C20H21BrN2O2S and molecular weight 432.05 g/mol. IUPAC: 9-bromo-2',2'-dimethyl-2-thiophen-2-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-oxane].
Chemical Property Profile of 9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 5.3394 indicates that 9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-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'-(thiophen-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'-(thiophen-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'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 488094-38-8.
What is the molecular formula of 9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C20H21BrN2O2S.
What is the molecular weight of 9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-2-yl)-1',2,3,5,6,10b'-hexahydrospiro[pyran-4,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 432.05 g/mol.
Where can I buy 9'-bromo-2,2-dimethyl-2'-(thiophen-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'-(thiophen-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'-(thiophen-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'-(thiophen-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.