![tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate structure](/static/products/6906/690632-05-4.webp)
tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate
TL;DR: tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate (CAS 690632-05-4) is a chemical compound with molecular formula C17H21BrN2O4 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6-bromo-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate
Also Known As: tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate, 6-Bromospiro[1,3-benzoxazine-2,4'-piperidine]-4(3H)-one, N-BOC protected, tert-butyl 6-bromo-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate, tert-Butyl 6-BROMO-4-OXO-3,4-DIHYDRO-1'H-SPIRO[1,3-BENZOXAZINE-2,4'-PIPERIDINE]-1'-CARBOXYLATE, TERT-BUTYL 6-BROMO-4-OXO-3,4-DIHYDROSPIRO[1,3-BENZOXAZINE-2,4'-PIPERIDINE]-1'-CARBOXYLATE
| Molecular Formula | C17H21BrN2O4 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 3.2985 |
| Topological Polar Surface Area | 67.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 396.06848 |
| Heavy Atoms | 24 |
| Complexity | 675.6584 |
Chemical Identifiers
| CAS Number | 690632-05-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C3=C(O2)C=CC(=C3)Br |
Product Overview
tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate (CAS 690632-05-4), with molecular formula C17H21BrN2O4 and molecular weight 396.07 g/mol. IUPAC: tert-butyl 6-bromo-4-oxospiro[3H-1,3-benzoxazine-2,4'-piperidine]-1'-carboxylate.
Chemical Property Profile of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate
Property Insights of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate
The XLogP value of 3.2985 indicates that tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.87 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate. Following Lipinski's Rule of Five, tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate?
The CAS number of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate is 690632-05-4.
What is the molecular formula of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate?
The molecular formula of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate is C17H21BrN2O4.
What is the molecular weight of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate?
The molecular weight of tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate is 396.07 g/mol.
Where can I buy tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate?
You can request a quote for tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 6-bromo-4-oxo-3,4-dihydrospiro[benzo[e][1,3]oxazine-2,4'-piperidine]-1'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.