![(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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide structure](/static/products/956/956192-54-4.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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (CAS 956192-54-4) is a chemical compound with molecular formula C26H22N4O4S2 and molecular weight 518.11 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]-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide, 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]-N-(thiophen-2-ylcarbonyl)thiophene-2-carboxamide
| Molecular Formula | C26H22N4O4S2 |
|---|---|
| Molecular Weight | 518.11 g/mol |
| LogP | 4.0193 |
| Topological Polar Surface Area | 93.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 518.1083 |
| Heavy Atoms | 36 |
| Complexity | 1474.3131 |
Chemical Identifiers
| CAS Number | 956192-54-4 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)N(C(=O)C4=CC=CS4)C(=O)C5=CC=CS5)C6=CC=CC=C6N2)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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide (CAS 956192-54-4), with molecular formula C26H22N4O4S2 and molecular weight 518.11 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]-N-(thiophene-2-carbonyl)thiophene-2-carboxamide.
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide
The XLogP value of 4.0193 indicates that (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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.79 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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide. 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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is 956192-54-4.
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is C26H22N4O4S2.
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide is 518.11 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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide 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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide?
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)-N-(thiophene-2-carbonyl)thiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.