1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine
TL;DR: 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine (CAS 87566-80-1) is a chemical compound with molecular formula C18H21N3OS and molecular weight 327.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-methoxy-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
Also Known As: 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-10-methoxy-3-methyl-7-(2-thienyl)-, Pyrazino benzodiazepine,1,2,3,4,4a,5-hexahydro-10-methoxy-3-methyl-7- -, 10-Methoxy-3-methyl-7-(thiophen-2-yl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine, 10-methoxy-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
| Molecular Formula | C18H21N3OS |
|---|---|
| Molecular Weight | 327.14 g/mol |
| LogP | 2.7281 |
| Topological Polar Surface Area | 28.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.14053 |
| Heavy Atoms | 23 |
| Complexity | 725.87286 |
Chemical Identifiers
| CAS Number | 87566-80-1 |
|---|---|
| SMILES | CN1CCN2C(C1)CN=C(C3=C2C=C(C=C3)OC)C4=CC=CS4 |
Product Overview
1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine (CAS 87566-80-1), with molecular formula C18H21N3OS and molecular weight 327.14 g/mol. IUPAC: 10-methoxy-3-methyl-7-thiophen-2-yl-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine.
Chemical Property Profile of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine
Property Insights of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine
The XLogP value of 2.7281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine. With a topological polar surface area (TPSA) of 28.07 Ų, 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)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-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine has 0 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 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The CAS number of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine is 87566-80-1.
What is the molecular formula of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The molecular formula of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine is C18H21N3OS.
What is the molecular weight of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine?
The molecular weight of 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine is 327.14 g/mol.
Where can I buy 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine?
You can request a quote for 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)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-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,4a,5-Hexahydro-10-methoxy-3-methyl-7-(2-thienyl)pyrazino(1,2-a)(1,4)benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.