NCI60_003101
TL;DR: NCI60_003101 (CAS 71555-54-9) is a chemical compound with molecular formula C17H20N6S and molecular weight 340.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-pyridin-2-yl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide
Also Known As: NCI60_003101, 4-pyridin-2-yl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide, 2-acetyl pyridine N(4)-1-(2-pyridyl)-piperazinyl thiosemicarbazone, 4-(2-PYRIDINYL)-1-PIPERAZINECARBOTHIOIC ACID, [1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZIDE, DIHYDROCHLORIDE, 1-Piperazinethiocarboxylic acid, 4-(2-pyridyl)-, (1-(2-pyridyl)ethylidene)hydrazide
| Molecular Formula | C17H20N6S |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 1.8973 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.147 |
| Heavy Atoms | 24 |
| Complexity | 695.5354 |
Chemical Identifiers
| CAS Number | 71555-54-9 |
|---|---|
| SMILES | CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3 |
Product Overview
NCI60_003101 (CAS 71555-54-9), with molecular formula C17H20N6S and molecular weight 340.15 g/mol. IUPAC: 4-pyridin-2-yl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide.
Chemical Property Profile of NCI60_003101
Property Insights of NCI60_003101
The XLogP value of 1.8973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003101. With a topological polar surface area (TPSA) of 56.65 Ų, NCI60_003101 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003101 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 NCI60_003101?
The CAS number of NCI60_003101 is 71555-54-9.
What is the molecular formula of NCI60_003101?
The molecular formula of NCI60_003101 is C17H20N6S.
What is the molecular weight of NCI60_003101?
The molecular weight of NCI60_003101 is 340.15 g/mol.
Where can I buy NCI60_003101?
You can request a quote for NCI60_003101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003101?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.