![(12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione structure](/static/products/956/956232-88-5.png)
(12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
TL;DR: (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 956232-88-5) is a chemical compound with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8S)-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-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)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione, (S)-2-(4-oxo-2-thioxothiazolidin-3-yl)-2,3,12,12a-tetrahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
| Molecular Formula | C17H14N4O3S2 |
|---|---|
| Molecular Weight | 386.05 g/mol |
| LogP | 1.0387 |
| Topological Polar Surface Area | 76.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 386.05072 |
| Heavy Atoms | 26 |
| Complexity | 985.0545 |
Chemical Identifiers
| CAS Number | 956232-88-5 |
|---|---|
| SMILES | C1[C@H]2C(=O)N(CC(=O)N2CC3=C1C4=CC=CC=C4N3)N5C(=O)CSC5=S |
Product Overview
(12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione (CAS 956232-88-5), with molecular formula C17H14N4O3S2 and molecular weight 386.05 g/mol. IUPAC: (8S)-6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione.
Chemical Property Profile of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
Property Insights of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione
The XLogP value of 1.0387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione. The TPSA of 76.72 Ų falls within the moderate polarity range, balancing permeability and solubility for (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-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)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-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 5 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 (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The CAS number of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 956232-88-5.
What is the molecular formula of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular formula of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is C17H14N4O3S2.
What is the molecular weight of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
The molecular weight of (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione is 386.05 g/mol.
Where can I buy (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-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)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]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 (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for (12aS)-2-(4-oxo-2-thioxo-1,3-thiazolidin-3-yl)-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.