![3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one structure](/static/products/1151/115174-31-7.webp)
3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one
TL;DR: 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one (CAS 115174-31-7) is a chemical compound with molecular formula C22H22N2O and molecular weight 330.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-3-one
Also Known As: 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one, AH-262/08374004, 3-Benzyl-2,3,3a,4,5,6-hexahydro-8-methyl-1H-pyrazino[3,2,1-jk]carbazol-2-one, 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one #, 4-benzyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-3-one
| Molecular Formula | C22H22N2O |
|---|---|
| Molecular Weight | 330.17 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 25.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.17322 |
| Heavy Atoms | 25 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 115174-31-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3CC(=O)N(C4C3=C2CCC4)CC5=CC=CC=C5 |
| InChIKey | BTMBHMLYKYNQTE-UHFFFAOYSA-N |
Product Overview
3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one (CAS 115174-31-7), with molecular formula C22H22N2O and molecular weight 330.17 g/mol. IUPAC: 4-benzyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraen-3-one.
Chemical Property Profile of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one
Property Insights of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one
The XLogP value of 3.9 indicates that 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.2 Ų, 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one has 0 hydrogen bond donor(s) and 1 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 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one?
The CAS number of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one is 115174-31-7.
What is the molecular formula of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one?
The molecular formula of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one is C22H22N2O.
What is the molecular weight of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one?
The molecular weight of 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one is 330.17 g/mol.
Where can I buy 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one?
You can request a quote for 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-8-methyl-3a,4,5,6-tetrahydro-1H-pyrazino[3,2,1-jk]carbazol-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.