![(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide structure](/static/products/956/956048-49-0.png)
(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide
TL;DR: (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide (CAS 956048-49-0) is a chemical compound with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(8S)-2,2-dimethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]-2-(4-methoxyphenyl)acetamide
Also Known As: (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide, N-[(12aS)-6,6-dimethyl-1,4-dioxo-3,4,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C25H26N4O4 |
|---|---|
| Molecular Weight | 446.20 g/mol |
| LogP | 2.281 |
| Topological Polar Surface Area | 94.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.1954 |
| Heavy Atoms | 33 |
| Complexity | 1261.1525 |
Chemical Identifiers
| CAS Number | 956048-49-0 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)NC(=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C |
Product Overview
(S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide (CAS 956048-49-0), with molecular formula C25H26N4O4 and molecular weight 446.20 g/mol. IUPAC: N-[(8S)-2,2-dimethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide
Property Insights of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide
The XLogP value of 2.281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide. The TPSA of 94.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 4 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 (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide?
The CAS number of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide is 956048-49-0.
What is the molecular formula of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide?
The molecular formula of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide is C25H26N4O4.
What is the molecular weight of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide?
The molecular weight of (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide is 446.20 g/mol.
Where can I buy (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide?
You can request a quote for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(6,6-dimethyl-1,4-dioxo-3,4,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H,6H,7H)-yl)-2-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.