![9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] structure](/static/products/102/1022873-31-9.png)
9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
TL;DR: 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 1022873-31-9) is a chemical compound with molecular formula C21H23BrN2OS and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-4'-methyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
Also Known As: 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine], 9-bromo-4'-methyl-2-(5-methylthiophen-2-yl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,1'-cyclohexane], 9-bromo-4'-methyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane]
| Molecular Formula | C21H23BrN2OS |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 6.26892 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 430.07144 |
| Heavy Atoms | 26 |
| Complexity | 881.8863 |
Chemical Identifiers
| CAS Number | 1022873-31-9 |
|---|---|
| SMILES | CC1CCC2(CC1)N3C(CC(=N3)C4=CC=C(S4)C)C5=C(O2)C=CC(=C5)Br |
Product Overview
9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] (CAS 1022873-31-9), with molecular formula C21H23BrN2OS and molecular weight 430.07 g/mol. IUPAC: 9-bromo-4'-methyl-2-(5-methylthiophen-2-yl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,1'-cyclohexane].
Chemical Property Profile of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
Property Insights of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]
The XLogP value of 6.26892 indicates that 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-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 24.83 Ų, 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-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-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-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-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The CAS number of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 1022873-31-9.
What is the molecular formula of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular formula of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is C21H23BrN2OS.
What is the molecular weight of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
The molecular weight of 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] is 430.07 g/mol.
Where can I buy 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
You can request a quote for 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-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-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine]?
Yes, KEHONG BIO provides custom synthesis services for 9'-bromo-4-methyl-2'-(5-methylthiophen-2-yl)-1',10b'-dihydrospiro[cyclohexane-1,5'-pyrazolo[1,5-c][1,3]benzoxazine] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.