![6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione structure](/static/products/103/1031402-53-5.png)
6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
TL;DR: 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1031402-53-5) is a chemical compound with molecular formula C28H24ClN3O3 and molecular weight 485.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
| Molecular Formula | C28H24ClN3O3 |
|---|---|
| Molecular Weight | 485.15 g/mol |
| LogP | 4.715 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 485.1506 |
| Heavy Atoms | 35 |
| Complexity | 1428.3721 |
Chemical Identifiers
| CAS Number | 1031402-53-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CC(=O)N3C(C2=O)CC4=C(C3C5=CC=C(C=C5)Cl)NC6=CC=CC=C46 |
Product Overview
6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1031402-53-5), with molecular formula C28H24ClN3O3 and molecular weight 485.15 g/mol. IUPAC: 2-(4-chlorophenyl)-6-[(4-methoxyphenyl)methyl]-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 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Property Insights of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
The XLogP value of 4.715 indicates that 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione. Following Lipinski's Rule of Five, 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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 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 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The CAS number of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 1031402-53-5.
What is the molecular formula of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular formula of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is C28H24ClN3O3.
What is the molecular weight of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?
The molecular weight of 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 485.15 g/mol.
Where can I buy 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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 6-(4-chlorophenyl)-2-(4-methoxybenzyl)-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.