6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride
TL;DR: 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride (CAS 57529-81-4) is a chemical compound with molecular formula C19H21ClN2O and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),15-heptaen-16-yl)ethanamine;hydrochloride
Also Known As: 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride, N,N-Dimethyl-6H-benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine hydrochloride, 2-(6H-Indolo[7,1-cd][1,5]benzoxazepin-1-yl)-N,N-dimethylethan-1-amine--hydrogen chloride (1/1), RefChem:309525
| Molecular Formula | C19H21ClN2O |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 4.0488 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13425 |
| Heavy Atoms | 23 |
| Complexity | 838.50195 |
Chemical Identifiers
| CAS Number | 57529-81-4 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C3N1C4=CC=CC=C4OCC3=CC=C2.Cl |
Product Overview
6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride (CAS 57529-81-4), with molecular formula C19H21ClN2O and molecular weight 328.13 g/mol. IUPAC: N,N-dimethyl-2-(8-oxa-1-azatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17),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-dimethyl-, monohydrochloride
Property Insights of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride
The XLogP value of 4.0488 indicates that 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, 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-dimethyl-, 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-dimethyl-, 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-dimethyl-, monohydrochloride?
The CAS number of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride is 57529-81-4.
What is the molecular formula of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride?
The molecular formula of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride is C19H21ClN2O.
What is the molecular weight of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride?
The molecular weight of 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride is 328.13 g/mol.
Where can I buy 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride?
You can request a quote for 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, 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-dimethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 6H-Benzo(b)pyrrolo(3,2,1-jk)(4,1)benzoxazepine-1-ethanamine, N,N-dimethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.