![(12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione structure](/static/products/956/956048-08-1.webp)
(12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
TL;DR: (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 956048-08-1) is a chemical compound with molecular formula C22H22N4O2 and molecular weight 374.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S)-2,2-dimethyl-6-(pyridin-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
Also Known As: (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (S)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
Technical Specifications
| Molecular Formula | C22H22N4O2 |
| Molecular Weight | 374.1743 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1743 Da |
| Heavy Atoms | 28 |
| Complexity | 650.0 |
| SMILES | CC1(C2=C(C[C@@H]3N1C(=O)CN(C3=O)CC4=CN=CC=C4)C5=CC=CC=C5N2)C |
| InChIKey | FYWLLWSSWFFNLM-SFHVURJKSA-N |
Product Description
Applications: AC1LWZSK is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
AC1LWZSK is a fine chemical identified by CAS number 956048-08-1 and the molecular formula C22H22N4O2 and a molecular weight of 374.17 g/mol. Synonyms include (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione and (S)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Property Insights of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione. Following Lipinski's Rule of Five, (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-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 (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The CAS number of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 956048-08-1.
What is the molecular formula of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular formula of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is C22H22N4O2.
What is the molecular weight of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular weight of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 374.1743 g/mol.
What are the applications of (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
AC1LWZSK is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
You can request a quote for (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
Yes, CoreyChem provides custom synthesis services for (12aS)-6,6-dimethyl-2-(pyridin-3-ylmethyl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.