N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide
TL;DR: N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide (CAS 90504-22-6) is a chemical compound with molecular formula C18H24N4S and molecular weight 328.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide
Also Known As: N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide, 2H-Pyran-2,4(3H)-dione,6-methyl-3-(phenylacetyl), N'-(1-(quinolin-2-yl)ethyl)azepane-1-carbothiohydrazide
| Molecular Formula | C18H24N4S |
|---|---|
| Molecular Weight | 328.17 g/mol |
| LogP | 3.5509 |
| Topological Polar Surface Area | 40.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.17218 |
| Heavy Atoms | 23 |
| Complexity | 664.8741 |
Chemical Identifiers
| CAS Number | 90504-22-6 |
|---|---|
| SMILES | CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCCCC3 |
Product Overview
N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide (CAS 90504-22-6), with molecular formula C18H24N4S and molecular weight 328.17 g/mol. IUPAC: N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide.
Chemical Property Profile of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide
Property Insights of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide
The XLogP value of 3.5509 indicates that N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.19 Ų, N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide 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 N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide?
The CAS number of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide is 90504-22-6.
What is the molecular formula of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide?
The molecular formula of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide is C18H24N4S.
What is the molecular weight of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide?
The molecular weight of N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide is 328.17 g/mol.
Where can I buy N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide?
You can request a quote for N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(1-quinolin-2-ylethyl)azepane-1-carbothiohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.