C16H25BrClNO.BrH
TL;DR: C16H25BrClNO.BrH (CAS 16891-97-7) is a chemical compound with molecular formula C16H26Br2ClNO and molecular weight 441.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine;hydrobromide
Also Known As: Phenetole, beta-(N-(2-bromoethyl)-N-ethylamino)-4-chloro-2-isopropyl-5-methyl-, hydrobromide, p-Cymene, 5-(2-(N-(2-bromoethyl)-N-ethylamino)ethoxy)-2-chloro-, hydrobromide, beta-(N-(2-Bromoethyl)-N-ethylamino)-4-chloro-2-isopropyl-5-methylphenetole hydrobromide, Triethylamine, 2-bromo-2'-[(6-chlorothymyl)oxy]-, hydrobromide, N-(2-bromoethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine hydrobromide
| Molecular Formula | C16H26Br2ClNO |
|---|---|
| Molecular Weight | 441.01 g/mol |
| LogP | 5.44532 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.00696 |
| Heavy Atoms | 21 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 16891-97-7 |
|---|---|
| SMILES | CCN(CCOC1=C(C=C(C(=C1)C)Cl)C(C)C)CCBr.Br |
| InChIKey | GDBXPFJAKSRUMN-UHFFFAOYSA-N |
Product Overview
C16H25BrClNO.BrH (CAS 16891-97-7), with molecular formula C16H26Br2ClNO and molecular weight 441.01 g/mol. IUPAC: N-(2-bromoethyl)-2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-ethylethanamine;hydrobromide.
Chemical Property Profile of C16H25BrClNO.BrH
Property Insights of C16H25BrClNO.BrH
The XLogP value of 5.44532 indicates that C16H25BrClNO.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, C16H25BrClNO.BrH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H25BrClNO.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 C16H25BrClNO.BrH?
The CAS number of C16H25BrClNO.BrH is 16891-97-7.
What is the molecular formula of C16H25BrClNO.BrH?
The molecular formula of C16H25BrClNO.BrH is C16H26Br2ClNO.
What is the molecular weight of C16H25BrClNO.BrH?
The molecular weight of C16H25BrClNO.BrH is 441.01 g/mol.
Where can I buy C16H25BrClNO.BrH?
You can request a quote for C16H25BrClNO.BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H25BrClNO.BrH?
Yes, KEHONG BIO provides custom synthesis services for C16H25BrClNO.BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.