![[2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate structure](/static/products/848/848064-37-9.png)
[2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
TL;DR: [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate (CAS 848064-37-9) is a chemical compound with molecular formula C23H27N5OS3 and molecular weight 485.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
Also Known As: [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate|2-((6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)amino)-2-oxoethyl 4-methylpiperazine-1-carbodithioate|2-[(6-benzyl-3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl 4-methylpiperazine-1-carbodithioate|2-[(6-BENZYL-3-CYANO-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-2-YL)AMINO]-2-OXOETHYL 4-METHYLTETRAHYDRO-1(2H)-PYRAZINECARBODITHIOATE
| Molecular Formula | C23H27N5OS3 |
|---|---|
| Molecular Weight | 485.14 g/mol |
| LogP | 3.38208 |
| Topological Polar Surface Area | 62.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.1378 |
| Heavy Atoms | 32 |
| Complexity | 1008.62946 |
Chemical Identifiers
| CAS Number | 848064-37-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=S)SCC(=O)NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C#N |
Product Overview
[2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate (CAS 848064-37-9), with molecular formula C23H27N5OS3 and molecular weight 485.14 g/mol. IUPAC: [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate.
Chemical Property Profile of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
Property Insights of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
The XLogP value of 3.38208 indicates that [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.61 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate. Following Lipinski's Rule of Five, [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate has 1 hydrogen bond donor(s) and 7 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 [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The CAS number of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is 848064-37-9.
What is the molecular formula of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The molecular formula of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is C23H27N5OS3.
What is the molecular weight of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
The molecular weight of [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate is 485.14 g/mol.
Where can I buy [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
You can request a quote for [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)amino]-2-oxoethyl] 4-methylpiperazine-1-carbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.