EINECS 298-456-0
TL;DR: EINECS 298-456-0 (CAS 93804-78-5) is a chemical compound with molecular formula C13H25Cl2NO3 and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride
Also Known As: EINECS 298-456-0, [3-chloro-2-hydroxypropyl]diethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium chloride, (3-Chloro-2-hydroxypropyl)diethyl(2-((2-methyl-1-oxoallyl)oxy)ethyl)ammonium chloride, (3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride, 3-Chloro-N,N-diethyl-2-hydroxy-N-{2-[(2-methylprop-2-enoyl)oxy]ethyl}propan-1-aminium chloride
| Molecular Formula | C13H25Cl2NO3 |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | -1.434 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 313.12115 |
| Heavy Atoms | 19 |
| Complexity | 281.0619 |
Chemical Identifiers
| CAS Number | 93804-78-5 |
|---|---|
| SMILES | CC[N+](CC)(CCOC(=O)C(=C)C)CC(CCl)O.[Cl-] |
Product Overview
EINECS 298-456-0 (CAS 93804-78-5), with molecular formula C13H25Cl2NO3 and molecular weight 313.12 g/mol. IUPAC: (3-chloro-2-hydroxypropyl)-diethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium chloride.
Chemical Property Profile of EINECS 298-456-0
Property Insights of EINECS 298-456-0
The XLogP value of -1.434 indicates that EINECS 298-456-0 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, EINECS 298-456-0 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 298-456-0 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 EINECS 298-456-0?
The CAS number of EINECS 298-456-0 is 93804-78-5.
What is the molecular formula of EINECS 298-456-0?
The molecular formula of EINECS 298-456-0 is C13H25Cl2NO3.
What is the molecular weight of EINECS 298-456-0?
The molecular weight of EINECS 298-456-0 is 313.12 g/mol.
Where can I buy EINECS 298-456-0?
You can request a quote for EINECS 298-456-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 298-456-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 298-456-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.