1-(Chloromethylene)hexahydro-1H-azepinium chloride
TL;DR: 1-(Chloromethylene)hexahydro-1H-azepinium chloride (CAS 58570-32-4) is a chemical compound with molecular formula C7H13Cl2N and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(chloromethylidene)azepan-1-ium chloride
Also Known As: EINECS 261-336-3, 1- hexahydro-1H-azepiniumchloride, 1-(Chloromethylene)hexahydro-1H-azepinium chloride, 1-(chloromethylidene)azepan-1-ium chloride, 1-(chloromethylidene)azepan-1-ium,chloride
| Molecular Formula | C7H13Cl2N |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | -1.156 |
| Topological Polar Surface Area | 3.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.04251 |
| Heavy Atoms | 10 |
| Complexity | 102.17374 |
Chemical Identifiers
| CAS Number | 58570-32-4 |
|---|---|
| SMILES | C1CCC[N+](=CCl)CC1.[Cl-] |
Product Overview
1-(Chloromethylene)hexahydro-1H-azepinium chloride (CAS 58570-32-4), with molecular formula C7H13Cl2N and molecular weight 181.04 g/mol. IUPAC: 1-(chloromethylidene)azepan-1-ium chloride.
Chemical Property Profile of 1-(Chloromethylene)hexahydro-1H-azepinium chloride
Property Insights of 1-(Chloromethylene)hexahydro-1H-azepinium chloride
The XLogP value of -1.156 indicates that 1-(Chloromethylene)hexahydro-1H-azepinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.01 Ų, 1-(Chloromethylene)hexahydro-1H-azepinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Chloromethylene)hexahydro-1H-azepinium chloride has 0 hydrogen bond donor(s) and 0 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 1-(Chloromethylene)hexahydro-1H-azepinium chloride?
The CAS number of 1-(Chloromethylene)hexahydro-1H-azepinium chloride is 58570-32-4.
What is the molecular formula of 1-(Chloromethylene)hexahydro-1H-azepinium chloride?
The molecular formula of 1-(Chloromethylene)hexahydro-1H-azepinium chloride is C7H13Cl2N.
What is the molecular weight of 1-(Chloromethylene)hexahydro-1H-azepinium chloride?
The molecular weight of 1-(Chloromethylene)hexahydro-1H-azepinium chloride is 181.04 g/mol.
Where can I buy 1-(Chloromethylene)hexahydro-1H-azepinium chloride?
You can request a quote for 1-(Chloromethylene)hexahydro-1H-azepinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Chloromethylene)hexahydro-1H-azepinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(Chloromethylene)hexahydro-1H-azepinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.