![(12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione structure](/static/products/956/956782-52-8.png)
(12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
TL;DR: (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione (CAS 956782-52-8) is a chemical compound with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-methyl-4-(pyridin-4-ylmethyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione
Also Known As: (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione, (S)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7-tetrahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4(12H,12bH)-dione
| Molecular Formula | C21H20N4O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 2.2052 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 360.15863 |
| Heavy Atoms | 27 |
| Complexity | 1058.4886 |
Chemical Identifiers
| CAS Number | 956782-52-8 |
|---|---|
| SMILES | C[C@@]12C3=C(CCN1C(=O)CN(C2=O)CC4=CC=NC=C4)C5=CC=CC=C5N3 |
Product Overview
(12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione (CAS 956782-52-8), with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol. IUPAC: (2S)-2-methyl-4-(pyridin-4-ylmethyl)-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraene-3,6-dione.
Chemical Property Profile of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
Property Insights of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione
The XLogP value of 2.2052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]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 (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione. Following Lipinski's Rule of Five, (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]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
Frequently Asked Questions
What is the CAS number of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione?
The CAS number of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione is 956782-52-8.
What is the molecular formula of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione?
The molecular formula of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione is C21H20N4O2.
What is the molecular weight of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione?
The molecular weight of (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione is 360.16 g/mol.
Where can I buy (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione?
You can request a quote for (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (12bS)-12b-methyl-2-(pyridin-4-ylmethyl)-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indole-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.