![6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate structure](/static/products/6918/691868-46-9.webp)
6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate
TL;DR: 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate (CAS 691868-46-9) is a chemical compound with molecular formula C14H14BrF3N2O4 and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromospiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
Also Known As: 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate, 6-bromospiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid, 6-Bromospiro[1,3-benzoxazine-2,4'-piperidin]-4(3H)-one trifluoroacetate (1:1), 6-bromo-3H-spiro[1,3-benzoxazine-2,4'-piperidine]-4-one; trifluoroacetic acid, 6-bromospiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
| Molecular Formula | C14H14BrF3N2O4 |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 2.2843 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 410.0089 |
| Heavy Atoms | 24 |
| Complexity | 645.397 |
Chemical Identifiers
| CAS Number | 691868-46-9 |
|---|---|
| SMILES | C1CNCCC12NC(=O)C3=C(O2)C=CC(=C3)Br.C(=O)(C(F)(F)F)O |
Product Overview
6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate (CAS 691868-46-9), with molecular formula C14H14BrF3N2O4 and molecular weight 410.01 g/mol. IUPAC: 6-bromospiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid.
Chemical Property Profile of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate
Property Insights of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate
The XLogP value of 2.2843 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate. Following Lipinski's Rule of Five, 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate has 3 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 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate?
The CAS number of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate is 691868-46-9.
What is the molecular formula of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate?
The molecular formula of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate is C14H14BrF3N2O4.
What is the molecular weight of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate?
The molecular weight of 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate is 410.01 g/mol.
Where can I buy 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate?
You can request a quote for 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromospiro[benzo[e][1,3]oxazine-2,4'-piperidin]-4(3H)-one 2,2,2-trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.