C17H27BrClNO.BrH
TL;DR: C17H27BrClNO.BrH (CAS 16793-67-2) 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-1-amine;hydrobromide
Also Known As: Phenetole, beta-(N-(2-bromoethyl)-N-propylamino)-4-chloro-2-isopropyl-5-methyl-, hydrobromide, beta-(N-(2-Bromoethyl)-N-propylamino)-4-chloro-2-isopropyl-5-methylphenetole hydrobromide, Propylamine, N-(2-bromoethyl)-N-[2-[(6-chlorothymyl)oxy]ethyl]-, hydrobromide, N-(2-bromoethyl)-N-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]propan-1-amine hydrobromide, N-(2-Bromoethyl)-N-{2-[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]ethyl}propan-1-amine--hydrogen bromide (1/1)
| Molecular Formula | C17H28Br2ClNO |
|---|---|
| Molecular Weight | 455.02 g/mol |
| LogP | 5.83542 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.0226 |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 16793-67-2 |
|---|---|
| SMILES | CCCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCBr.Br |
| InChIKey | UQRCRBFIZWWXEX-UHFFFAOYSA-N |
Product Overview
C17H27BrClNO.BrH (CAS 16793-67-2), 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-1-amine;hydrobromide.
Chemical Property Profile of C17H27BrClNO.BrH
Property Insights of C17H27BrClNO.BrH
The XLogP value of 5.83542 indicates that C17H27BrClNO.BrH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, C17H27BrClNO.BrH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C17H27BrClNO.BrH 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 C17H27BrClNO.BrH?
The CAS number of C17H27BrClNO.BrH is 16793-67-2.
What is the molecular formula of C17H27BrClNO.BrH?
The molecular formula of C17H27BrClNO.BrH is C17H28Br2ClNO.
What is the molecular weight of C17H27BrClNO.BrH?
The molecular weight of C17H27BrClNO.BrH is 455.02 g/mol.
Where can I buy C17H27BrClNO.BrH?
You can request a quote for C17H27BrClNO.BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H27BrClNO.BrH?
Yes, KEHONG BIO provides custom synthesis services for C17H27BrClNO.BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.