Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide
TL;DR: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide (CAS 87566-63-0) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 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-6-oxido-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepin-6-ium
Also Known As: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furyl)-pyrazino[1,2-a][1,4]benzodiazepine 6-oxide, 7-(furan-2-yl)-3,9-dimethyl-6-oxido-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepin-6-ium, RefChem:376008
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 2.06972 |
| Topological Polar Surface Area | 45.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 751.63214 |
Chemical Identifiers
| CAS Number | 87566-63-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CCN(CC3C[N+](=C2C4=CC=CO4)[O-])C |
Product Overview
Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide (CAS 87566-63-0), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 7-(furan-2-yl)-3,9-dimethyl-6-oxido-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepin-6-ium.
Chemical Property Profile of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide
Property Insights of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide
The XLogP value of 2.06972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide. With a topological polar surface area (TPSA) of 45.69 Ų, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide 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 Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide?
The CAS number of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide is 87566-63-0.
What is the molecular formula of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide?
The molecular formula of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide is C18H21N3O2.
What is the molecular weight of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide?
The molecular weight of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide is 311.16 g/mol.
Where can I buy Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide?
You can request a quote for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide?
Yes, KEHONG BIO provides custom synthesis services for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3,9-dimethyl-7-(2-furanyl)-, 6-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.