Gemedine
TL;DR: Gemedine (CAS 7770-99-2) is a chemical compound with molecular formula C9H22N4O4S and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(azepan-1-yl)ethyl]guanidine;sulfuric acid
Also Known As: Gemedine, (2-(Hexahydro-1H-azepin-1-yl)ethyl)guanidine sulfate, 1-(N-Hexamethylenimino)-ethyl-2-guanidine sulfate, 2-[2-(azepan-1-yl)ethyl]guanidine; sulfuric acid, Guanidine, (2-(hexahydro-1H-azepin-1-yl)ethyl)-, sulfate
| Molecular Formula | C9H22N4O4S |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | -0.517 |
| Topological Polar Surface Area | 151.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.13617 |
| Heavy Atoms | 18 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7770-99-2 |
|---|---|
| SMILES | C1CCCN(CC1)CCN=C(N)N.OS(=O)(=O)O |
| InChIKey | HOXBVKNFGPBYHB-UHFFFAOYSA-N |
Product Overview
Gemedine (CAS 7770-99-2), with molecular formula C9H22N4O4S and molecular weight 282.14 g/mol. IUPAC: 2-[2-(azepan-1-yl)ethyl]guanidine;sulfuric acid.
Chemical Property Profile of Gemedine
Property Insights of Gemedine
The XLogP value of -0.517 indicates that Gemedine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 151.0 Ų indicates high polarity, suggesting Gemedine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gemedine has 4 hydrogen bond donor(s) and 6 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 Gemedine?
The CAS number of Gemedine is 7770-99-2.
What is the molecular formula of Gemedine?
The molecular formula of Gemedine is C9H22N4O4S.
What is the molecular weight of Gemedine?
The molecular weight of Gemedine is 282.14 g/mol.
Where can I buy Gemedine?
You can request a quote for Gemedine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gemedine?
Yes, KEHONG BIO provides custom synthesis services for Gemedine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.