RefChem:400062
TL;DR: RefChem:400062 (CAS 58564-96-8) is a chemical compound with molecular formula C11H21Cl2NO3 and molecular weight 285.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
Also Known As: EINECS 261-329-5, dimethyl[2-[ oxy]ethyl]ammoniumchloride, (3-Chloro-2-hydroxypropyl)dimethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium chloride, (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride, (3-CHLORO-2-HYDROXYPROPYL)DIMETHYL[2-[(2-METHYL-1-OXOALLYL)OXY]ETHYL]AMMONIUM CHLORIDE
| Molecular Formula | C11H21Cl2NO3 |
|---|---|
| Molecular Weight | 285.09 g/mol |
| LogP | -2.2142 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 285.08984 |
| Heavy Atoms | 17 |
| Complexity | 257.1011 |
Chemical Identifiers
| CAS Number | 58564-96-8 |
|---|---|
| SMILES | CC(=C)C(=O)OCC[N+](C)(C)CC(CCl)O.[Cl-] |
Product Overview
RefChem:400062 (CAS 58564-96-8), with molecular formula C11H21Cl2NO3 and molecular weight 285.09 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
Chemical Property Profile of RefChem:400062
Property Insights of RefChem:400062
The XLogP value of -2.2142 indicates that RefChem:400062 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.53 Ų, RefChem:400062 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:400062 has 1 hydrogen bond donor(s) and 3 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 RefChem:400062?
The CAS number of RefChem:400062 is 58564-96-8.
What is the molecular formula of RefChem:400062?
The molecular formula of RefChem:400062 is C11H21Cl2NO3.
What is the molecular weight of RefChem:400062?
The molecular weight of RefChem:400062 is 285.09 g/mol.
Where can I buy RefChem:400062?
You can request a quote for RefChem:400062 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:400062?
Yes, KEHONG BIO provides custom synthesis services for RefChem:400062 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.