1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine
TL;DR: 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine (CAS 87566-39-0) is a chemical compound with molecular formula C18H21N3O and molecular weight 295.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(furan-2-yl)-3,9-dimethyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
Also Known As: 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 7-(Furan-2-yl)-3,9-dimethyl-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine, 7-(furan-2-yl)-3,9-dimethyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine, RefChem:376007
| Molecular Formula | C18H21N3O |
|---|---|
| Molecular Weight | 295.17 g/mol |
| LogP | 2.55942 |
| Topological Polar Surface Area | 31.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.16846 |
| Heavy Atoms | 22 |
| Complexity | 705.12726 |
Chemical Identifiers
| CAS Number | 87566-39-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(CC3CN=C2C4=CC=CO4)C |
Product Overview
1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine (CAS 87566-39-0), with molecular formula C18H21N3O and molecular weight 295.17 g/mol. IUPAC: 7-(furan-2-yl)-3,9-dimethyl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine.
Chemical Property Profile of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine
Property Insights of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine
The XLogP value of 2.55942 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine. With a topological polar surface area (TPSA) of 31.98 Ų, 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine has 0 hydrogen bond donor(s) and 4 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 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The CAS number of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine is 87566-39-0.
What is the molecular formula of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The molecular formula of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine is C18H21N3O.
What is the molecular weight of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The molecular weight of 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine is 295.17 g/mol.
Where can I buy 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine?
You can request a quote for 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,4a,5-Hexahydro-3,9-dimethyl-7-(2-furanyl)pyrazino(1,2-a)(1,4)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.