1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr
TL;DR: 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr (CAS 74116-97-5) is a chemical compound with molecular formula C20H26BrN3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanamine;hydrobromide
Also Known As: 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N,N,6-trimethyl-, monohydrobromide, N,N-Dimethyl-2-(6-methyl-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl)ethan-1-amine--hydrogen bromide (1/1), RefChem:326162
| Molecular Formula | C20H26BrN3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 4.4013 |
| Topological Polar Surface Area | 9.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.131 |
| Heavy Atoms | 24 |
| Complexity | 728.5739 |
Chemical Identifiers
| CAS Number | 74116-97-5 |
|---|---|
| SMILES | CC1C2=CC=CC3=C2N(CC3)C4=CC=CC=C4N1CCN(C)C.Br |
Product Overview
1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr (CAS 74116-97-5), with molecular formula C20H26BrN3 and molecular weight 387.13 g/mol. IUPAC: N,N-dimethyl-2-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethanamine;hydrobromide.
Chemical Property Profile of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr
Property Insights of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr
The XLogP value of 4.4013 indicates that 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.72 Ų, 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr 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 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr?
The CAS number of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr is 74116-97-5.
What is the molecular formula of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr?
The molecular formula of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr is C20H26BrN3.
What is the molecular weight of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr?
The molecular weight of 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr is 387.13 g/mol.
Where can I buy 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr?
You can request a quote for 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-N,N,6-trimethylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.