NCI60_002944
TL;DR: NCI60_002944 (CAS 86919-59-7) is a chemical compound with molecular formula C18H22N6S and molecular weight 354.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(6-methyl-2-pyridinyl)ethylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide
Also Known As: NCI60_002944, N-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]-4-pyridin-2-, N-[1-(6-methylpyridin-2-yl)ethylideneamino]-4-pyridin-2-yl-piperazine-1-carbothioamide, N-[1-(6-methylpyridin-2-yl)ethylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide, 1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide
| Molecular Formula | C18H22N6S |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 2.20572 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.16266 |
| Heavy Atoms | 25 |
| Complexity | 753.17145 |
Chemical Identifiers
| CAS Number | 86919-59-7 |
|---|---|
| SMILES | CC1=NC(=CC=C1)C(=NNC(=S)N2CCN(CC2)C3=CC=CC=N3)C |
Product Overview
NCI60_002944 (CAS 86919-59-7), with molecular formula C18H22N6S and molecular weight 354.16 g/mol. IUPAC: N-[1-(6-methyl-2-pyridinyl)ethylideneamino]-4-pyridin-2-ylpiperazine-1-carbothioamide.
Chemical Property Profile of NCI60_002944
Property Insights of NCI60_002944
The XLogP value of 2.20572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002944. With a topological polar surface area (TPSA) of 56.65 Ų, NCI60_002944 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_002944 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_002944?
The CAS number of NCI60_002944 is 86919-59-7.
What is the molecular formula of NCI60_002944?
The molecular formula of NCI60_002944 is C18H22N6S.
What is the molecular weight of NCI60_002944?
The molecular weight of NCI60_002944 is 354.16 g/mol.
Where can I buy NCI60_002944?
You can request a quote for NCI60_002944 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002944?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002944 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.