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6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione structure
Fine Chemical

6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione

TL;DR: 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione (CAS 1030911-24-0) is a chemical compound with molecular formula C28H31N3O3 and molecular weight 457.23654 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(3-methoxyphenyl)-6-(4-methylcyclohexyl)-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-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione, 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione

CAS Number
1030911-24-0
Molecular Formula
C28H31N3O3
Molecular Weight
457.23654 g/mol
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Technical Specifications

Molecular FormulaC28H31N3O3
Molecular Weight457.23654 g/mol
XLogP4.5
Topological Polar Surface Area (TPSA)65.6 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass457.23654 Da
Heavy Atoms34
Complexity781.0
SMILESCC1CCC(CC1)N2CC(=O)N3C(C2=O)CC4=C(C3C5=CC(=CC=C5)OC)NC6=CC=CC=C46
InChIKeyAGMRYLZCJAJOQF-UHFFFAOYSA-N

Chemical Property Profile of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione

XLogP
4.5
TPSA (Topological Polar Surface Area)
65.6
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
34
Complexity
781.0
Exact Mass
457.23654
Monoisotopic Mass
457.23654
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione

The XLogP value of 4.5 indicates that 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-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 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-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-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-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

What is the CAS number of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?

The CAS number of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 1030911-24-0.

What is the molecular formula of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?

The molecular formula of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is C28H31N3O3.

What is the molecular weight of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?

The molecular weight of 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione is 457.23654 g/mol.

Where can I buy 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-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-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione?

Yes, CoreyChem provides custom synthesis services for 6-(3-methoxyphenyl)-2-(4-methylcyclohexyl)-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.

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