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6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate
TL;DR: 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate (CAS 690632-09-8) is a chemical compound with molecular formula C15H15BrF3NO4 and molecular weight 409.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromospiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid
Also Known As: 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate, 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid, 6-Bromospiro[chroman-2,4'-piperidin]-4-one 2,2,2-trifluoroacetate, 6-bromo-3,4-dihydrospiro[1-benzopyran-2,4'-piperidin]-4-one; trifluoroacetic acid, 6-bromo-3H-spiro[1-benzopyran-2,4'-piperidine]-4-one; trifluoroacetic acid
| Molecular Formula | C15H15BrF3NO4 |
|---|---|
| Molecular Weight | 409.01 g/mol |
| LogP | 3.1698 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 409.01367 |
| Heavy Atoms | 24 |
| Complexity | 642.0966 |
Chemical Identifiers
| CAS Number | 690632-09-8 |
|---|---|
| SMILES | C1CNCCC12CC(=O)C3=C(O2)C=CC(=C3)Br.C(=O)(C(F)(F)F)O |
Product Overview
6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate (CAS 690632-09-8), with molecular formula C15H15BrF3NO4 and molecular weight 409.01 g/mol. IUPAC: 6-bromospiro[3H-chromene-2,4'-piperidine]-4-one;2,2,2-trifluoroacetic acid.
Chemical Property Profile of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate
Property Insights of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate
The XLogP value of 3.1698 indicates that 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate. Following Lipinski's Rule of Five, 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate has 2 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[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate?
The CAS number of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate is 690632-09-8.
What is the molecular formula of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate?
The molecular formula of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate is C15H15BrF3NO4.
What is the molecular weight of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate?
The molecular weight of 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate is 409.01 g/mol.
Where can I buy 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate?
You can request a quote for 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one 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[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for 6-bromospiro[chromene-2,4'-piperidin]-4(3H)-one trifluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.