NCI60_002947
TL;DR: NCI60_002947 (CAS 86919-64-4) is a chemical compound with molecular formula C19H24N6S and molecular weight 368.18 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-ylbutylideneamino)piperazine-1-carbothioamide
Also Known As: NCI60_002947, 4-pyridin-2-yl-N-[(E)-1-pyridin-2-ylbutylideneamino]piperazi, 4-pyridin-2-yl-N-(1-pyridin-2-ylbutylideneamino)piperazine-1-carbothioamide, 4-(Pyridin-2-yl)-N-[1-(pyridin-2-yl)butylidene]piperazine-1-carbohydrazonothioic acid
| Molecular Formula | C19H24N6S |
|---|---|
| Molecular Weight | 368.18 g/mol |
| LogP | 2.6775 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1783 |
| Heavy Atoms | 26 |
| Complexity | 726.2093 |
Chemical Identifiers
| CAS Number | 86919-64-4 |
|---|---|
| SMILES | CCCC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3 |
Product Overview
NCI60_002947 (CAS 86919-64-4), with molecular formula C19H24N6S and molecular weight 368.18 g/mol. IUPAC: 4-pyridin-2-yl-N-(1-pyridin-2-ylbutylideneamino)piperazine-1-carbothioamide.
Chemical Property Profile of NCI60_002947
Property Insights of NCI60_002947
The XLogP value of 2.6775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_002947. With a topological polar surface area (TPSA) of 56.65 Ų, NCI60_002947 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_002947 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_002947?
The CAS number of NCI60_002947 is 86919-64-4.
What is the molecular formula of NCI60_002947?
The molecular formula of NCI60_002947 is C19H24N6S.
What is the molecular weight of NCI60_002947?
The molecular weight of NCI60_002947 is 368.18 g/mol.
Where can I buy NCI60_002947?
You can request a quote for NCI60_002947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002947?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.