RefChem:368844
TL;DR: RefChem:368844 (CAS 16793-56-9) is a chemical compound with molecular formula C17H29Cl2NO2 and molecular weight 349.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-ethyl-2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
Also Known As: Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-4-methoxy-5-methyl-, hydrochloride, beta-(N-(2-Chloroethyl)-N-ethylamino)-2-isopropyl-4-methoxy-5-methylphenetole hydrochloride, p-Cymene, 5-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-2-methoxy-, hydrochloride, Triethylamine, 2-chloro-2'-[(6-methoxythymyl)oxy]-, hydrochloride, 2-Chloro-N-ethyl-N-{2-[4-methoxy-5-methyl-2-(propan-2-yl)phenoxy]ethyl}ethan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C17H29Cl2NO2 |
|---|---|
| Molecular Weight | 349.16 g/mol |
| LogP | 4.48832 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 349.15753 |
| Heavy Atoms | 22 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 16793-56-9 |
|---|---|
| SMILES | CCN(CCOC1=C(C=C(C(=C1)C)OC)C(C)C)CCCl.Cl |
| InChIKey | CVJBDSPTMURGNW-UHFFFAOYSA-N |
Product Overview
RefChem:368844 (CAS 16793-56-9), with molecular formula C17H29Cl2NO2 and molecular weight 349.16 g/mol. IUPAC: N-(2-chloroethyl)-N-ethyl-2-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride.
Chemical Property Profile of RefChem:368844
Property Insights of RefChem:368844
The XLogP value of 4.48832 indicates that RefChem:368844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.7 Ų, RefChem:368844 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:368844 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:368844?
The CAS number of RefChem:368844 is 16793-56-9.
What is the molecular formula of RefChem:368844?
The molecular formula of RefChem:368844 is C17H29Cl2NO2.
What is the molecular weight of RefChem:368844?
The molecular weight of RefChem:368844 is 349.16 g/mol.
Where can I buy RefChem:368844?
You can request a quote for RefChem:368844 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:368844?
Yes, KEHONG BIO provides custom synthesis services for RefChem:368844 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.