N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
TL;DR: N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide (CAS 91742-10-8) is a chemical compound with molecular formula C12H15N5O2S and molecular weight 293.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(isoquinolin-5-ylsulfonylamino)ethyl]guanidine
Also Known As: Chrysene,octahydro, N-(2-Guanidinoethyl)-5-isoquinolinesulfonamide, BiomolKI2_000045, N-(2-guanidinoethyl)isoquinoline-5-sulfonamide, HA 1004
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15N5O2S |
| Molecular Weight | 293.09464 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.09464 Da |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N |
| InChIKey | MZNDNBFMSVMUCX-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
Property Insights of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide
The XLogP value of -0.5 indicates that N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide. Following Lipinski's Rule of Five, N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide?
The CAS number of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide is 91742-10-8.
What is the molecular formula of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide?
The molecular formula of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide is C12H15N5O2S.
What is the molecular weight of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide?
The molecular weight of N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide is 293.09464 g/mol.
Where can I buy N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide?
You can request a quote for N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide?
Yes, CoreyChem provides custom synthesis services for N-(2-((Aminoiminomethyl)amino)ethyl)-5-isoquinolinesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.