![12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene structure](/static/products/488/488844-00-4.png)
12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene
TL;DR: 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene (CAS 488844-00-4) is a chemical compound with molecular formula C21H20BrCl2N3O and molecular weight 479.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(3,4-dichlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
Also Known As: 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene, 9'-bromo-2'-(3,4-dichlorophenyl)-1-methyl-1',10b'-dihydrospiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazine], 9-bromo-2-(3,4-dichlorophenyl)-1'-methyl-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidine], 9-bromo-2-(3,4-dichlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
| Molecular Formula | C21H20BrCl2N3O |
|---|---|
| Molecular Weight | 479.02 g/mol |
| LogP | 5.7213 |
| Topological Polar Surface Area | 28.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 479.0167 |
| Heavy Atoms | 28 |
| Complexity | 972.1182 |
Chemical Identifiers
| CAS Number | 488844-00-4 |
|---|---|
| SMILES | CN1CCC2(CC1)N3C(CC(=N3)C4=CC(=C(C=C4)Cl)Cl)C5=C(O2)C=CC(=C5)Br |
Product Overview
12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene (CAS 488844-00-4), with molecular formula C21H20BrCl2N3O and molecular weight 479.02 g/mol. IUPAC: 9-bromo-2-(3,4-dichlorophenyl)-1'-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine].
Chemical Property Profile of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene
Property Insights of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene
The XLogP value of 5.7213 indicates that 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.07 Ų, 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene 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 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene?
The CAS number of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene is 488844-00-4.
What is the molecular formula of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene?
The molecular formula of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene is C21H20BrCl2N3O.
What is the molecular weight of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene?
The molecular weight of 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene is 479.02 g/mol.
Where can I buy 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene?
You can request a quote for 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene?
Yes, KEHONG BIO provides custom synthesis services for 12''-bromo-4''-(3,4-dichlorophenyl)-1-methyl-8''-oxa-5'',6''-diazaspiro[piperidine-4,7''-tricyclo[7.4.0.0^{2,6}]tridecane]-1''(13''),4'',9'',11''-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.