Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)
TL;DR: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) (CAS 74117-18-3) is a chemical compound with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylethanamine;oxalic acid
Also Known As: Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1), 7-(2-(Methylamino)ethyl)-1,2,6,7-tetrahydroindolo(1,7-ab)(1,5)benzodiazepine oxalate, 1,2-Dihydro-N-methylbenzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine oxalate, Oxalic acid--2-(1,2-dihydroindolo[1,7-ab][1,5]benzodiazepin-7(6H)-yl)-N-methylethan-1-amine (1/1), RefChem:326164
| Molecular Formula | C20H23N3O4 |
|---|---|
| Molecular Weight | 369.17 g/mol |
| LogP | 2.0758 |
| Topological Polar Surface Area | 93.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.16885 |
| Heavy Atoms | 27 |
| Complexity | 840.8705 |
Chemical Identifiers
| CAS Number | 74117-18-3 |
|---|---|
| SMILES | CNCCN1CC2=CC=CC3=C2N(CC3)C4=CC=CC=C41.C(=O)(C(=O)O)O |
Product Overview
Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) (CAS 74117-18-3), with molecular formula C20H23N3O4 and molecular weight 369.17 g/mol. IUPAC: 2-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-8-yl)-N-methylethanamine;oxalic acid.
Chemical Property Profile of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)
Property Insights of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)
The XLogP value of 2.0758 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1). The TPSA of 93.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1). Following Lipinski's Rule of Five, Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) has 3 hydrogen bond donor(s) and 5 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 Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)?
The CAS number of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) is 74117-18-3.
What is the molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)?
The molecular formula of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) is C20H23N3O4.
What is the molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)?
The molecular weight of Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) is 369.17 g/mol.
Where can I buy Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)?
You can request a quote for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)pyrrolo(3,2,1-jk)(1,4)benzodiazepine-7(6H)-ethanamine, 1,2-dihydro-N-methyl-, ethanedioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.