Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate
TL;DR: Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate (CAS 65009-95-2) is a chemical compound with molecular formula C9H19NO5S and molecular weight 253.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(methoxymethylidene)azepan-1-ium;methyl sulfate
Also Known As: EINECS 265-308-1, Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate, hexahydro-1-1h-azepiniummethylsulphate, hexahydro-1- -1H-azepiniummethylsulphate, 1-(Methoxymethylidene)azepan-1-ium methyl sulfate
| Molecular Formula | C9H19NO5S |
|---|---|
| Molecular Weight | 253.10 g/mol |
| LogP | 0.3406 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.09839 |
| Heavy Atoms | 16 |
| Complexity | 289.0212 |
Chemical Identifiers
| CAS Number | 65009-95-2 |
|---|---|
| SMILES | COC=[N+]1CCCCCC1.COS(=O)(=O)[O-] |
Product Overview
Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate (CAS 65009-95-2), with molecular formula C9H19NO5S and molecular weight 253.10 g/mol. IUPAC: 1-(methoxymethylidene)azepan-1-ium;methyl sulfate.
Chemical Property Profile of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate
Property Insights of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate
The XLogP value of 0.3406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate. Following Lipinski's Rule of Five, Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate has 0 hydrogen bond donor(s) and 5 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 Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate?
The CAS number of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate is 65009-95-2.
What is the molecular formula of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate?
The molecular formula of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate is C9H19NO5S.
What is the molecular weight of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate?
The molecular weight of Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate is 253.10 g/mol.
Where can I buy Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate?
You can request a quote for Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-1-(methoxymethylene)-1H-azepinium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.