Guanidine 1,5-diazabicyclo(5.4.0)undecane
TL;DR: Guanidine 1,5-diazabicyclo(5.4.0)undecane (CAS 115839-50-4) is a chemical compound with molecular formula C12H25N5 and molecular weight 239.211 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]guanidine
Also Known As: Guanidine diazabicycloundecane, Guanidine 1,5-diazabicyclo(5.4.0)undecane, 1-cycloundecyl-1,2-diazacycloundecane,guanidine, N-[(4-bromophenyl)methyl]cyclohexanamine,hydrochloride, 2-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]guanidine
Technical Specifications
| Molecular Formula | C12H25N5 |
| Molecular Weight | 239.211 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 70.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.211 Da |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
| SMILES | C1CCN2CCCN(CC2C1)CCN=C(N)N |
| InChIKey | KWSXCMNCCVJJCH-UHFFFAOYSA-N |
Chemical Property Profile of Guanidine 1,5-diazabicyclo(5.4.0)undecane
Property Insights of Guanidine 1,5-diazabicyclo(5.4.0)undecane
The XLogP value of -0.2 indicates that Guanidine 1,5-diazabicyclo(5.4.0)undecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidine 1,5-diazabicyclo(5.4.0)undecane. Following Lipinski's Rule of Five, Guanidine 1,5-diazabicyclo(5.4.0)undecane 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
What is the CAS number of Guanidine 1,5-diazabicyclo(5.4.0)undecane?
The CAS number of Guanidine 1,5-diazabicyclo(5.4.0)undecane is 115839-50-4.
What is the molecular formula of Guanidine 1,5-diazabicyclo(5.4.0)undecane?
The molecular formula of Guanidine 1,5-diazabicyclo(5.4.0)undecane is C12H25N5.
What is the molecular weight of Guanidine 1,5-diazabicyclo(5.4.0)undecane?
The molecular weight of Guanidine 1,5-diazabicyclo(5.4.0)undecane is 239.211 g/mol.
Where can I buy Guanidine 1,5-diazabicyclo(5.4.0)undecane?
You can request a quote for Guanidine 1,5-diazabicyclo(5.4.0)undecane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Guanidine 1,5-diazabicyclo(5.4.0)undecane?
Yes, CoreyChem provides custom synthesis services for Guanidine 1,5-diazabicyclo(5.4.0)undecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.