1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr
TL;DR: 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr (CAS 74116-99-7) is a chemical compound with molecular formula C21H29Br2N3 and molecular weight 481.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethyl]propan-1-amine;dihydrobromide
Also Known As: 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-6-methyl-N-propyl-,dihydrobromide, N-[2-(6-Methyl-1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl)ethyl]propan-1-amine--hydrogen bromide (1/2), RefChem:326160
| Molecular Formula | C21H29Br2N3 |
|---|---|
| Molecular Weight | 481.07 g/mol |
| LogP | 5.4172 |
| Topological Polar Surface Area | 18.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.0728 |
| Heavy Atoms | 26 |
| Complexity | 734.94617 |
Chemical Identifiers
| CAS Number | 74116-99-7 |
|---|---|
| SMILES | CCCNCCN1C(C2=CC=CC3=C2N(CC3)C4=CC=CC=C41)C.Br.Br |
Product Overview
1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr (CAS 74116-99-7), with molecular formula C21H29Br2N3 and molecular weight 481.07 g/mol. IUPAC: N-[2-(9-methyl-1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)ethyl]propan-1-amine;dihydrobromide.
Chemical Property Profile of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr
Property Insights of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr
The XLogP value of 5.4172 indicates that 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.51 Ų, 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr?
The CAS number of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr is 74116-99-7.
What is the molecular formula of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr?
The molecular formula of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr is C21H29Br2N3.
What is the molecular weight of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr?
The molecular weight of 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr is 481.07 g/mol.
Where can I buy 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr?
You can request a quote for 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr 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-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-6-methyl-N-propylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)ethanamine 2HBr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.