NCI60_003156
TL;DR: NCI60_003156 (CAS 87587-20-0) is a chemical compound with molecular formula C17H22N6OS and molecular weight 358.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carbothiohydrazide
Also Known As: NCI60_003156, N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide, N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-(2-pyridyl)piperazine-1-carbothiohydrazide, N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carbothiohydrazide, N'-(1-(1-Hydroxy-1.lambda.~5~-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide
| Molecular Formula | C17H22N6OS |
|---|---|
| Molecular Weight | 358.16 g/mol |
| LogP | 0.9773 |
| Topological Polar Surface Area | 70.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.1576 |
| Heavy Atoms | 25 |
| Complexity | 705.29407 |
Chemical Identifiers
| CAS Number | 87587-20-0 |
|---|---|
| SMILES | CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3 |
Product Overview
NCI60_003156 (CAS 87587-20-0), with molecular formula C17H22N6OS and molecular weight 358.16 g/mol. IUPAC: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]-4-pyridin-2-ylpiperazine-1-carbothiohydrazide.
Chemical Property Profile of NCI60_003156
Property Insights of NCI60_003156
The XLogP value of 0.9773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003156. The TPSA of 70.37 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003156. Following Lipinski's Rule of Five, NCI60_003156 has 2 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 NCI60_003156?
The CAS number of NCI60_003156 is 87587-20-0.
What is the molecular formula of NCI60_003156?
The molecular formula of NCI60_003156 is C17H22N6OS.
What is the molecular weight of NCI60_003156?
The molecular weight of NCI60_003156 is 358.16 g/mol.
Where can I buy NCI60_003156?
You can request a quote for NCI60_003156 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003156?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003156 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.