1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)
TL;DR: 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) (CAS 83658-62-2) is a chemical compound with molecular formula C36H41Cl3F2N4O2 and molecular weight 704.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[5-(3-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine);trihydrochloride
Also Known As: 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3), 1-(5-(3-fluorophenyl)-2,3-dihydrobenzo[f][1,4]oxazepin-3-yl)-N,N-dimethylmethanamine sesquihydrochloride, 1-[5-(3-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine trihydrochloride, 1-[5-(3-Fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine--hydrogen chloride (2/3), RefChem:220134
| Molecular Formula | C36H41Cl3F2N4O2 |
|---|---|
| Molecular Weight | 704.23 g/mol |
| LogP | 7.2368 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 704.2263 |
| Heavy Atoms | 47 |
| Complexity | 1531.0787 |
Chemical Identifiers
| CAS Number | 83658-62-2 |
|---|---|
| SMILES | CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)F.CN(C)CC1COC2=CC=CC=C2C(=N1)C3=CC(=CC=C3)F.Cl.Cl.Cl |
Product Overview
1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) (CAS 83658-62-2), with molecular formula C36H41Cl3F2N4O2 and molecular weight 704.23 g/mol. IUPAC: bis(1-[5-(3-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-3-yl]-N,N-dimethylmethanamine);trihydrochloride.
Chemical Property Profile of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)
Property Insights of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)
The XLogP value of 7.2368 indicates that 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.66 Ų, 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) 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-(3-fluorophenyl)-, hydrochloride (2:3) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)?
The CAS number of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) is 83658-62-2.
What is the molecular formula of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)?
The molecular formula of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) is C36H41Cl3F2N4O2.
What is the molecular weight of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)?
The molecular weight of 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) is 704.23 g/mol.
Where can I buy 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3)?
You can request a quote for 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) 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-(3-fluorophenyl)-, hydrochloride (2:3)?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzoxazepine-3-methanamine, 2,3-dihydro-N,N-dimethyl-5-(3-fluorophenyl)-, hydrochloride (2:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.