1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride
TL;DR: 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride (CAS 83658-56-4) is a chemical compound with molecular formula C18H20ClFN2O and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine;hydrochloride
Also Known As: 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride, 1-[5-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine hydrochloride, 1-[5-(2-Fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine--hydrogen chloride (1/1), RefChem:220133
| Molecular Formula | C18H20ClFN2O |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.4075 |
| Topological Polar Surface Area | 24.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.12482 |
| Heavy Atoms | 23 |
| Complexity | 702.92584 |
Chemical Identifiers
| CAS Number | 83658-56-4 |
|---|---|
| SMILES | CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC=CC=C3F.Cl |
Product Overview
1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride (CAS 83658-56-4), with molecular formula C18H20ClFN2O and molecular weight 334.12 g/mol. IUPAC: 1-[5-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine;hydrochloride.
Chemical Property Profile of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride
Property Insights of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride
The XLogP value of 3.4075 indicates that 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.83 Ų, 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride has 0 hydrogen bond donor(s) and 3 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 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride?
The CAS number of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride is 83658-56-4.
What is the molecular formula of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride?
The molecular formula of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride is C18H20ClFN2O.
What is the molecular weight of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride?
The molecular weight of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride is 334.12 g/mol.
Where can I buy 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride?
You can request a quote for 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(2-fluorophenyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.