RefChem:368842
TL;DR: RefChem:368842 (CAS 16793-68-3) is a chemical compound with molecular formula C17H28Br2ClNO and molecular weight 455.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrobromide
Also Known As: Phenetole, beta-(N-(2-bromoethyl)-N-isopropylamino)-4-chloro-2-isopropyl-5-methyl-, hydrobromide, beta-(N-(2-Bromoethyl)-N-isopropylamino)-4-chloro-2-isopropyl-5-methylphenetole hydrobromide, p-Cymene, 5-(2-(N-(2-bromoethyl)-N-(2-propyl)amino)ethoxy)-2-chloro-, hydrobromide, Triethylamine, 2'-bromo-2''-[(6-chlorothymyl)oxy]-1-methyl-, hydrobromide, N-(2-bromoethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine hydrobromide
| Molecular Formula | C17H28Br2ClNO |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 5.83382 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.0226 |
| Heavy Atoms | 22 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 16793-68-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(C)C)OCCN(CCBr)C(C)C.Br |
| InChIKey | XDJAGVBSXHVKKT-UHFFFAOYSA-N |
Product Overview
RefChem:368842 (CAS 16793-68-3), with molecular formula C17H28Br2ClNO and molecular weight 455.02 g/mol. IUPAC: N-(2-bromoethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-2-amine;hydrobromide.
Chemical Property Profile of RefChem:368842
Property Insights of RefChem:368842
The XLogP value of 5.83382 indicates that RefChem:368842 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, RefChem:368842 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:368842 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:368842?
The CAS number of RefChem:368842 is 16793-68-3.
What is the molecular formula of RefChem:368842?
The molecular formula of RefChem:368842 is C17H28Br2ClNO.
What is the molecular weight of RefChem:368842?
The molecular weight of RefChem:368842 is 455.02 g/mol.
Where can I buy RefChem:368842?
You can request a quote for RefChem:368842 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:368842?
Yes, KEHONG BIO provides custom synthesis services for RefChem:368842 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.