![(S)-tert-butyl (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)carbamate structure](/static/products/956/956048-75-2.png)
(S)-tert-butyl (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)carbamate
TL;DR: (S)-tert-butyl (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)carbamate (CAS 956048-75-2) is a chemical compound with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 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]carbamate
Also Known As: (S)-tert-butyl (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)carbamate, tert-butyl [(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]carbamate
| Molecular Formula | C21H26N4O4 |
|---|---|
| Molecular Weight | 398.20 g/mol |
| LogP | 2.4382 |
| Topological Polar Surface Area | 94.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 398.1954 |
| Heavy Atoms | 29 |
| Complexity | 1017.34784 |
Chemical Identifiers
| CAS Number | 956048-75-2 |
|---|---|
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)NC(=O)OC(C)(C)C)C4=CC=CC=C4N2)C |
Product Overview
(S)-tert-butyl (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)carbamate (CAS 956048-75-2), with molecular formula C21H26N4O4 and molecular weight 398.20 g/mol. IUPAC: tert-butyl 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]carbamate.
Chemical Property Profile of (S)-tert-butyl (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)carbamate
Property Insights of (S)-tert-butyl (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)carbamate
The XLogP value of 2.4382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-tert-butyl (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)carbamate. The TPSA of 94.74 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-tert-butyl (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)carbamate. Following Lipinski's Rule of Five, (S)-tert-butyl (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)carbamate 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)-tert-butyl (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)carbamate?
The CAS number of (S)-tert-butyl (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)carbamate is 956048-75-2.
What is the molecular formula of (S)-tert-butyl (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)carbamate?
The molecular formula of (S)-tert-butyl (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)carbamate is C21H26N4O4.
What is the molecular weight of (S)-tert-butyl (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)carbamate?
The molecular weight of (S)-tert-butyl (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)carbamate is 398.20 g/mol.
Where can I buy (S)-tert-butyl (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)carbamate?
You can request a quote for (S)-tert-butyl (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)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-tert-butyl (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)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (S)-tert-butyl (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)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.