![2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione structure](/static/products/109/1097884-46-2.png)
2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
TL;DR: 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1097884-46-2) is a chemical compound with molecular formula C24H24ClN3O2 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-butyl-2-(4-chlorophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, 2-butyl-6-(4-chlorophenyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
| Molecular Formula | C24H24ClN3O2 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 4.3063 |
| Topological Polar Surface Area | 56.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.1557 |
| Heavy Atoms | 30 |
| Complexity | 1121.1864 |
Chemical Identifiers
| CAS Number | 1097884-46-2 |
|---|---|
| SMILES | CCCCN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC=C(C=C4)Cl)NC5=CC=CC=C35 |
Product Overview
2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1097884-46-2), with molecular formula C24H24ClN3O2 and molecular weight 421.16 g/mol. IUPAC: 6-butyl-2-(4-chlorophenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Property Insights of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
The XLogP value of 4.3063 indicates that 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.41 Ų, 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione has 1 hydrogen bond donor(s) and 2 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 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The CAS number of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 1097884-46-2.
What is the molecular formula of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular formula of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is C24H24ClN3O2.
What is the molecular weight of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular weight of 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 421.16 g/mol.
Where can I buy 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
You can request a quote for 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-butyl-6-(4-chlorophenyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.