N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone
TL;DR: N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone (CAS 107555-22-6) is a chemical compound with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate
Also Known As: 2-Aatsc, N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone, 2-[[(1-pyridin-2-ylethylideneamino)carbamothioylamino]methoxy]ethyl acetate, 2-[[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate, Hydrazinecarbothioamide, N-((2-(acetyloxy)ethoxy)methyl)-2-(1-(2-pyridinyl)ethylidene)-
| Molecular Formula | C13H18N4O3S |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 0.8069 |
| Topological Polar Surface Area | 84.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 310.10995 |
| Heavy Atoms | 21 |
| Complexity | 493.44955 |
Chemical Identifiers
| CAS Number | 107555-22-6 |
|---|---|
| SMILES | C/C(=N/NC(=S)NCOCCOC(=O)C)/C1=CC=CC=N1 |
Product Overview
N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone (CAS 107555-22-6), with molecular formula C13H18N4O3S and molecular weight 310.11 g/mol. IUPAC: 2-[[[(Z)-1-pyridin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate.
Chemical Property Profile of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone
Property Insights of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone
The XLogP value of 0.8069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone. The TPSA of 84.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone. Following Lipinski's Rule of Five, N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone has 2 hydrogen bond donor(s) and 6 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 N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone?
The CAS number of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone is 107555-22-6.
What is the molecular formula of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone?
The molecular formula of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone is C13H18N4O3S.
What is the molecular weight of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone?
The molecular weight of N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone is 310.11 g/mol.
Where can I buy N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone?
You can request a quote for N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for N(4)-(2-Acetoxyethoxymethyl)-2-acetylpyridine thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.