Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-
TL;DR: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- (CAS 87566-38-9) is a chemical compound with molecular formula C18H21ClN4 and molecular weight 328.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-chloro-3-methyl-7-(1-methylpyrrol-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine
Also Known As: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-, 9-Chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-1,2,3,4,4a,5-hexahydropyrazino[1,2-a][1,4]benzodiazepine, 9-chloro-3-methyl-7-(1-methylpyrrol-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine, RefChem:376016
| Molecular Formula | C18H21ClN4 |
|---|---|
| Molecular Weight | 328.15 g/mol |
| LogP | 2.6499 |
| Topological Polar Surface Area | 23.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.14548 |
| Heavy Atoms | 23 |
| Complexity | 764.13214 |
Chemical Identifiers
| CAS Number | 87566-38-9 |
|---|---|
| SMILES | CN1CCN2C(C1)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CN4C |
Product Overview
Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- (CAS 87566-38-9), with molecular formula C18H21ClN4 and molecular weight 328.15 g/mol. IUPAC: 9-chloro-3-methyl-7-(1-methylpyrrol-2-yl)-2,4,4a,5-tetrahydro-1H-pyrazino[1,2-a][1,4]benzodiazepine.
Chemical Property Profile of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-
Property Insights of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-
The XLogP value of 2.6499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-. With a topological polar surface area (TPSA) of 23.77 Ų, Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- 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-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- has 0 hydrogen bond donor(s) and 3 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-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-?
The CAS number of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- is 87566-38-9.
What is the molecular formula of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-?
The molecular formula of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- is C18H21ClN4.
What is the molecular weight of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-?
The molecular weight of Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- is 328.15 g/mol.
Where can I buy Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-?
You can request a quote for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- 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-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-9-chloro-3-methyl-7-(1-methyl-1H-pyrrol-2-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.