C22H22BrN3O2
TL;DR: C22H22BrN3O2 (CAS 850736-96-8) is a chemical compound with molecular formula C22H22BrN3O2 and molecular weight 439.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-bromophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
Also Known As: 1-(2-(4-bromophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, 1-[2'-(4-bromophenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone, 1-[2-(4-bromophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
| Molecular Formula | C22H22BrN3O2 |
|---|---|
| Molecular Weight | 439.09 g/mol |
| LogP | 4.3312 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 439.08954 |
| Heavy Atoms | 28 |
| Complexity | 948.50916 |
Chemical Identifiers
| CAS Number | 850736-96-8 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5O2 |
Product Overview
C22H22BrN3O2 (CAS 850736-96-8), with molecular formula C22H22BrN3O2 and molecular weight 439.09 g/mol. IUPAC: 1-[2-(4-bromophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone.
Chemical Property Profile of C22H22BrN3O2
Property Insights of C22H22BrN3O2
The XLogP value of 4.3312 indicates that C22H22BrN3O2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, C22H22BrN3O2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H22BrN3O2 has 0 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 C22H22BrN3O2?
The CAS number of C22H22BrN3O2 is 850736-96-8.
What is the molecular formula of C22H22BrN3O2?
The molecular formula of C22H22BrN3O2 is C22H22BrN3O2.
What is the molecular weight of C22H22BrN3O2?
The molecular weight of C22H22BrN3O2 is 439.09 g/mol.
Where can I buy C22H22BrN3O2?
You can request a quote for C22H22BrN3O2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H22BrN3O2?
Yes, KEHONG BIO provides custom synthesis services for C22H22BrN3O2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.