![1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone structure](/static/products/840/840463-31-2.png)
1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
TL;DR: 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone (CAS 840463-31-2) is a chemical compound with molecular formula C22H21Cl2N3O2 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dichlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
Also Known As: 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone, 1-[2'-(3,4-dichlorophenyl)-1',10b'-dihydro-1H-spiro[piperidine-4,5'-pyrazolo[1,5-c][1,3]benzoxazin]-1-yl]ethanone, 1-[2-(3,4-dichlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone
| Molecular Formula | C22H21Cl2N3O2 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 4.8755 |
| Topological Polar Surface Area | 45.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 429.10107 |
| Heavy Atoms | 29 |
| Complexity | 1014.867 |
Chemical Identifiers
| CAS Number | 840463-31-2 |
|---|---|
| SMILES | CC(=O)N1CCC2(CC1)N3C(CC(=N3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5O2 |
Product Overview
1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone (CAS 840463-31-2), with molecular formula C22H21Cl2N3O2 and molecular weight 429.10 g/mol. IUPAC: 1-[2-(3,4-dichlorophenyl)spiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]-1'-yl]ethanone.
Chemical Property Profile of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
Property Insights of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone
The XLogP value of 4.8755 indicates that 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.14 Ų, 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone 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 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The CAS number of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is 840463-31-2.
What is the molecular formula of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The molecular formula of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is C22H21Cl2N3O2.
What is the molecular weight of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
The molecular weight of 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone is 429.10 g/mol.
Where can I buy 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
You can request a quote for 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(3,4-dichlorophenyl)-1,10b-dihydrospiro[benzo[e]pyrazolo[1,5-c][1,3]oxazine-5,4'-piperidin]-1'-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.