6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride
TL;DR: 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride (CAS 57529-80-3) is a chemical compound with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride
Also Known As: 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride, N,N,2-Trimethyl-6H-benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine hydrochloride, N,N-Dimethyl-2-(2-methyl-6H-indolo[7,1-cd][1,5]benzoxazepin-1-yl)ethan-1-amine--hydrogen chloride (1/1), RefChem:309524
| Molecular Formula | C20H23ClN2O |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 4.35722 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.1499 |
| Heavy Atoms | 24 |
| Complexity | 882.7214 |
Chemical Identifiers
| CAS Number | 57529-80-3 |
|---|---|
| SMILES | CC1=C(N2C3=CC=CC=C3OCC4=C2C1=CC=C4)CCN(C)C.Cl |
Product Overview
6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride (CAS 57529-80-3), with molecular formula C20H23ClN2O and molecular weight 342.15 g/mol. IUPAC: N,N-dimethyl-2-(15-methyl-8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-16-yl)ethanamine;hydrochloride.
Chemical Property Profile of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride
Property Insights of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride
The XLogP value of 4.35722 indicates that 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.4 Ų, 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride has 0 hydrogen bond donor(s) and 2 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 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride?
The CAS number of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride is 57529-80-3.
What is the molecular formula of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride?
The molecular formula of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride is C20H23ClN2O.
What is the molecular weight of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride?
The molecular weight of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride is 342.15 g/mol.
Where can I buy 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride?
You can request a quote for 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N,2-trimethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.