1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide
TL;DR: 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide (CAS 87587-17-5) is a chemical compound with molecular formula C14H22N4OS and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide
Also Known As: 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide, Hexahydro-1H-azepine-1-carbothioic acid 2-(1-(2-pyridyl)ethyl)hydrazide N'''-oxide, N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide, RefChem:1057797, BRN 5588816
| Molecular Formula | C14H22N4OS |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 1.6361 |
| Topological Polar Surface Area | 54.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.15143 |
| Heavy Atoms | 20 |
| Complexity | 446.55496 |
Chemical Identifiers
| CAS Number | 87587-17-5 |
|---|---|
| SMILES | CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCCCCC2 |
Product Overview
1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide (CAS 87587-17-5), with molecular formula C14H22N4OS and molecular weight 294.15 g/mol. IUPAC: N'-[1-(1-oxidopyridin-1-ium-2-yl)ethyl]azepane-1-carbothiohydrazide.
Chemical Property Profile of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide
Property Insights of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide
The XLogP value of 1.6361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide. With a topological polar surface area (TPSA) of 54.24 Ų, 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide has 2 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 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide?
The CAS number of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide is 87587-17-5.
What is the molecular formula of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide?
The molecular formula of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide is C14H22N4OS.
What is the molecular weight of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide?
The molecular weight of 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide is 294.15 g/mol.
Where can I buy 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide?
You can request a quote for 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine-1-carbothioic acid, hexahydro-, 2-(1-(2-pyridyl)ethyl)hydrazide, N'''-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.