8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride
TL;DR: 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride (CAS 85008-93-1) is a chemical compound with molecular formula C27H28ClN3O and molecular weight 445.19208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N,2-trimethyl-3-(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)propan-1-amine;hydrochloride
Also Known As: 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride, N,N,2-Trimethyl-3-(3-phenyl-8H-dibenzo[b,f][1,2]oxazolo[4,5-d]azepin-8-yl)propan-1-amine--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C27H28ClN3O |
| Molecular Weight | 445.19208 g/mol |
| XLogP | 6.7466 |
| Topological Polar Surface Area (TPSA) | 32.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.19208 Da |
| Heavy Atoms | 32 |
| Complexity | 577.0 |
| SMILES | CC(CN1C2=CC=CC=C2C3=C(C4=CC=CC=C41)ON=C3C5=CC=CC=C5)CN(C)C.Cl |
| InChIKey | VKXSBAZLRZLIFT-UHFFFAOYSA-N |
Chemical Property Profile of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride
Property Insights of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride
The XLogP value of 6.7466 indicates that 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.5 Ų, 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, 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-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride?
The CAS number of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride is 85008-93-1.
What is the molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride?
The molecular formula of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride is C27H28ClN3O.
What is the molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride?
The molecular weight of 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride is 445.19208 g/mol.
Where can I buy 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride?
You can request a quote for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 8H-Dibenz(b,f)isoxazolo(4,5-d)azepine-8-propanamine, 3-phenyl-N,N,beta-trimethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.