C16H26ClNO.ClH
TL;DR: C16H26ClNO.ClH (CAS 16793-52-5) is a chemical compound with molecular formula C16H27Cl2NO and molecular weight 319.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride
Also Known As: Phenetole, beta-(N-(2-chloroethyl)-N-ethylamino)-2-isopropyl-5-methyl-, hydrochloride, p-Cymene, 3-(2-(N-(2-chloroethyl)-N-ethylamino)ethoxy)-, hydrochloride, beta-(N-(2-Chloroethyl)-N-ethylamino)-2-isopropyl-5-methylphenetole hydrochloride, Triethylamine, 2-chloro-2'-(thymyloxy)-, hydrochloride, N-(2-chloroethyl)-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine hydrochloride
| Molecular Formula | C16H27Cl2NO |
|---|---|
| Molecular Weight | 319.15 g/mol |
| LogP | 4.47972 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 319.14697 |
| Heavy Atoms | 20 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 16793-52-5 |
|---|---|
| SMILES | CCN(CCOC1=C(C=CC(=C1)C)C(C)C)CCCl.Cl |
| InChIKey | NVROIAXIHDARQX-UHFFFAOYSA-N |
Product Overview
C16H26ClNO.ClH (CAS 16793-52-5), with molecular formula C16H27Cl2NO and molecular weight 319.15 g/mol. IUPAC: N-(2-chloroethyl)-N-ethyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine;hydrochloride.
Chemical Property Profile of C16H26ClNO.ClH
Property Insights of C16H26ClNO.ClH
The XLogP value of 4.47972 indicates that C16H26ClNO.ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, C16H26ClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C16H26ClNO.ClH has 1 hydrogen bond donor(s) and 2 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 C16H26ClNO.ClH?
The CAS number of C16H26ClNO.ClH is 16793-52-5.
What is the molecular formula of C16H26ClNO.ClH?
The molecular formula of C16H26ClNO.ClH is C16H27Cl2NO.
What is the molecular weight of C16H26ClNO.ClH?
The molecular weight of C16H26ClNO.ClH is 319.15 g/mol.
Where can I buy C16H26ClNO.ClH?
You can request a quote for C16H26ClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C16H26ClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C16H26ClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.