NCI60_002945
TL;DR: NCI60_002945 (CAS 86919-58-6) is a chemical compound with molecular formula C17H24N4S and molecular weight 316.17 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]-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Also Known As: NCI60_002945, N-[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]-3-azabicyclo, N-[1-(6-methylpyridin-2-yl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide, 3-azabicyclo[3.2.2]nonane-3-thiocarboxylic acid 2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazide
| Molecular Formula | C17H24N4S |
|---|---|
| Molecular Weight | 316.17 g/mol |
| LogP | 3.11052 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.17218 |
| Heavy Atoms | 22 |
| Complexity | 561.7766 |
Chemical Identifiers
| CAS Number | 86919-58-6 |
|---|---|
| SMILES | CC1=NC(=CC=C1)C(=NNC(=S)N2CC3CCC(C2)CC3)C |
Product Overview
NCI60_002945 (CAS 86919-58-6), with molecular formula C17H24N4S and molecular weight 316.17 g/mol. IUPAC: N-[1-(6-methyl-2-pyridinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide.
Chemical Property Profile of NCI60_002945
Property Insights of NCI60_002945
The XLogP value of 3.11052 indicates that NCI60_002945 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.52 Ų, NCI60_002945 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_002945 has 1 hydrogen bond donor(s) and 3 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_002945?
The CAS number of NCI60_002945 is 86919-58-6.
What is the molecular formula of NCI60_002945?
The molecular formula of NCI60_002945 is C17H24N4S.
What is the molecular weight of NCI60_002945?
The molecular weight of NCI60_002945 is 316.17 g/mol.
Where can I buy NCI60_002945?
You can request a quote for NCI60_002945 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_002945?
Yes, KEHONG BIO provides custom synthesis services for NCI60_002945 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.