Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride
TL;DR: Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride (CAS 16809-64-6) is a chemical compound with molecular formula C14H23ClN2O3 and molecular weight 302.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(5-methyl-4-nitro-2-propan-2-ylphenoxy)ethanamine;hydrochloride
Also Known As: p-Cymene, 5-(2-(dimethylamino)ethoxy)-2-nitro-, hydrochloride, Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride, beta-(N,N-Dimethylamino)-2-isopropyl-5-methyl-4-nitrophenetole hydrochloride, Ethylamine, N,N-dimethyl-2-[(6-nitrothymyl)oxy]-, monohydrochloride, N,N-dimethyl-2-(5-methyl-4-nitro-2-propan-2-ylphenoxy)ethanamine hydrochloride
| Molecular Formula | C14H23ClN2O3 |
|---|---|
| Molecular Weight | 302.14 g/mol |
| LogP | 3.38882 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1397 |
| Heavy Atoms | 20 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 16809-64-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1[N+](=O)[O-])C(C)C)OCCN(C)C.Cl |
| InChIKey | XVGSHNGMSJDMOR-UHFFFAOYSA-N |
Product Overview
Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride (CAS 16809-64-6), with molecular formula C14H23ClN2O3 and molecular weight 302.14 g/mol. IUPAC: N,N-dimethyl-2-(5-methyl-4-nitro-2-propan-2-ylphenoxy)ethanamine;hydrochloride.
Chemical Property Profile of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride
Property Insights of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride
The XLogP value of 3.38882 indicates that Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride has 1 hydrogen bond donor(s) and 4 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 Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride?
The CAS number of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride is 16809-64-6.
What is the molecular formula of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride?
The molecular formula of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride is C14H23ClN2O3.
What is the molecular weight of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride?
The molecular weight of Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride is 302.14 g/mol.
Where can I buy Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride?
You can request a quote for Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Phenetole, beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-4-nitro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.