2-acetylpyridine N(4)-pyridylthiosemicarbazone
TL;DR: 2-acetylpyridine N(4)-pyridylthiosemicarbazone (CAS 71555-47-0) is a chemical compound with molecular formula C16H22N4S and molecular weight 302.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-pyridin-2-ylethylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide
Also Known As: 2-acetylpyridine N(4)-pyridylthiosemicarbazone, 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyridinyl)ethylidene]hydrazide, N-(1-pyridin-2-ylethylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide, 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-pyridiny, 3-Azabicyclo(3.2.2)nonane-3-thiocarboxylic acid, (1-(2-pyridyl)ethylidene)hydrazide
| Molecular Formula | C16H22N4S |
|---|---|
| Molecular Weight | 302.16 g/mol |
| LogP | 2.8021 |
| Topological Polar Surface Area | 40.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.15652 |
| Heavy Atoms | 21 |
| Complexity | 506.33832 |
Chemical Identifiers
| CAS Number | 71555-47-0 |
|---|---|
| SMILES | CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3 |
Product Overview
2-acetylpyridine N(4)-pyridylthiosemicarbazone (CAS 71555-47-0), with molecular formula C16H22N4S and molecular weight 302.16 g/mol. IUPAC: N-(1-pyridin-2-ylethylideneamino)-3-azabicyclo[3.2.2]nonane-3-carbothioamide.
Chemical Property Profile of 2-acetylpyridine N(4)-pyridylthiosemicarbazone
Property Insights of 2-acetylpyridine N(4)-pyridylthiosemicarbazone
The XLogP value of 2.8021 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-acetylpyridine N(4)-pyridylthiosemicarbazone. With a topological polar surface area (TPSA) of 40.52 Ų, 2-acetylpyridine N(4)-pyridylthiosemicarbazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-acetylpyridine N(4)-pyridylthiosemicarbazone 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 2-acetylpyridine N(4)-pyridylthiosemicarbazone?
The CAS number of 2-acetylpyridine N(4)-pyridylthiosemicarbazone is 71555-47-0.
What is the molecular formula of 2-acetylpyridine N(4)-pyridylthiosemicarbazone?
The molecular formula of 2-acetylpyridine N(4)-pyridylthiosemicarbazone is C16H22N4S.
What is the molecular weight of 2-acetylpyridine N(4)-pyridylthiosemicarbazone?
The molecular weight of 2-acetylpyridine N(4)-pyridylthiosemicarbazone is 302.16 g/mol.
Where can I buy 2-acetylpyridine N(4)-pyridylthiosemicarbazone?
You can request a quote for 2-acetylpyridine N(4)-pyridylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-acetylpyridine N(4)-pyridylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 2-acetylpyridine N(4)-pyridylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.