![N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) structure](/static/products/3720/372090-32-9.webp)
N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)
TL;DR: N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) (CAS 372090-32-9) is a chemical compound with molecular formula C17H26N4OS2 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethyl-9-oxo-3-N,7-N-bis(prop-2-enyl)-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
Also Known As: N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide), 1,5-Dimethyl-9-oxo-3,7-diaza-bicyclo[3.3.1]nonane-3,7-dicarbothioic acid bis-allylamide, 1,5-dimethyl-9-oxo-3-N,7-N-bis(prop-2-enyl)-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide, 1,5-dimethyl-9-oxo-N,N'-di(prop-2-en-1-yl)-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide
| Molecular Formula | C17H26N4OS2 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 1.3203 |
| Topological Polar Surface Area | 47.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.15482 |
| Heavy Atoms | 24 |
| Complexity | 514.93787 |
Chemical Identifiers
| CAS Number | 372090-32-9 |
|---|---|
| SMILES | CC12CN(CC(C1=O)(CN(C2)C(=S)NCC=C)C)C(=S)NCC=C |
Product Overview
N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) (CAS 372090-32-9), with molecular formula C17H26N4OS2 and molecular weight 366.15 g/mol. IUPAC: 1,5-dimethyl-9-oxo-3-N,7-N-bis(prop-2-enyl)-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide.
Chemical Property Profile of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)
Property Insights of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)
The XLogP value of 1.3203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide). With a topological polar surface area (TPSA) of 47.61 Ų, N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) 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 N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)?
The CAS number of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) is 372090-32-9.
What is the molecular formula of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)?
The molecular formula of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) is C17H26N4OS2.
What is the molecular weight of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)?
The molecular weight of N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) is 366.15 g/mol.
Where can I buy N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)?
You can request a quote for N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide)?
Yes, KEHONG BIO provides custom synthesis services for N3,N7-Diallyl-1,5-dimethyl-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-bis(carbothioamide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.