8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride
TL;DR: 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride (CAS 90358-80-8) is a chemical compound with molecular formula C25H24ClN3O and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)ethanamine;hydrochloride
Also Known As: 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride, N,N-Dimethyl-3-phenyl-8H-dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine monohydrochloride, (beta-Dimethylaminoethyl)-8 phenyl-3 (dibenzo(b,f)isoxazolo(4,5-d)) 8H azepine chlorhydrate, (beta-Dimethylaminoethyl)-8 phenyl-3 dibenzo(b,f)isoxazolo(4,5-d)5H-azepine HCl [French], 8-(2-(Dimethylamino)ethyl)-3-phenyl-8H-dibenzo(b,f)isoxazolo(4,5-d)azepine hydrochloride
| Molecular Formula | C25H24ClN3O |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 6.1105 |
| Topological Polar Surface Area | 32.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.1608 |
| Heavy Atoms | 30 |
| Complexity | 1154.0397 |
Chemical Identifiers
| CAS Number | 90358-80-8 |
|---|---|
| SMILES | CN(C)CCN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5.Cl |
Product Overview
8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride (CAS 90358-80-8), with molecular formula C25H24ClN3O and molecular weight 417.16 g/mol. IUPAC: N,N-dimethyl-2-(5-phenyl-3-oxa-4,13-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaen-13-yl)ethanamine;hydrochloride.
Chemical Property Profile of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride
Property Insights of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride
The XLogP value of 6.1105 indicates that 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.51 Ų, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride?
The CAS number of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride is 90358-80-8.
What is the molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride?
The molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride is C25H24ClN3O.
What is the molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride?
The molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride is 417.16 g/mol.
Where can I buy 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride?
You can request a quote for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-ethanamine, N,N-dimethyl-3-phenyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.