![3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide structure](/static/products/100/100650-45-1.png)
3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide
TL;DR: 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide (CAS 100650-45-1) is a chemical compound with molecular formula C20H26N4S and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide
Also Known As: 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide, 3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, 2-[1-(3-isoquinolinyl)ethyl]hydrazide, N'-(1-(isoquinolin-3-yl)ethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide, N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide, N'-[1-(3-Isoquinolinyl)ethyl]-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide #
| Molecular Formula | C20H26N4S |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 3.7969 |
| Topological Polar Surface Area | 40.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1878 |
| Heavy Atoms | 25 |
| Complexity | 740.19946 |
Chemical Identifiers
| CAS Number | 100650-45-1 |
|---|---|
| SMILES | CC(C1=CC2=CC=CC=C2C=N1)NNC(=S)N3CC4CCC(C3)CC4 |
Product Overview
3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide (CAS 100650-45-1), with molecular formula C20H26N4S and molecular weight 354.19 g/mol. IUPAC: N'-(1-isoquinolin-3-ylethyl)-3-azabicyclo[3.2.2]nonane-3-carbothiohydrazide.
Chemical Property Profile of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide
Property Insights of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide
The XLogP value of 3.7969 indicates that 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.19 Ų, 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide 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 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide?
The CAS number of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide is 100650-45-1.
What is the molecular formula of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide?
The molecular formula of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide is C20H26N4S.
What is the molecular weight of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide?
The molecular weight of 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide is 354.19 g/mol.
Where can I buy 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide?
You can request a quote for 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide?
Yes, KEHONG BIO provides custom synthesis services for 3-Azabicyclo[3,3,2]nonane-3-carbothioic acid 2-[1-[3-isoquinolyl]ethyl]hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.