Neophenoxine
TL;DR: Neophenoxine (CAS 83514-04-9) is a chemical compound with molecular formula C12H19Cl2NO2 and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenoxy)ethoxy]-N,N-dimethylethanamine;hydrochloride
Also Known As: Neophenoxine, Ethanamine, 2-(2-(4-chlorophenoxy)ethoxy)-N,N-dimethyl-, hydrochloride, N,N-Dimethylaminoethyl 4-chlorophenoxyethyl ether, 2-[2-(4-chlorophenoxy)ethoxy]-N,N-dimethylethanamine;hydrochloride, 2-[2-(4-chlorophenoxy)ethoxy]-N,N-dimethylethanamine hydrochloride
| Molecular Formula | C12H19Cl2NO2 |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 2.7188 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.07928 |
| Heavy Atoms | 17 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 83514-04-9 |
|---|---|
| SMILES | CN(C)CCOCCOC1=CC=C(C=C1)Cl.Cl |
| InChIKey | IQMKUBUNCZCVST-UHFFFAOYSA-N |
Product Overview
Neophenoxine (CAS 83514-04-9), with molecular formula C12H19Cl2NO2 and molecular weight 279.08 g/mol. IUPAC: 2-[2-(4-chlorophenoxy)ethoxy]-N,N-dimethylethanamine;hydrochloride.
Chemical Property Profile of Neophenoxine
Property Insights of Neophenoxine
The XLogP value of 2.7188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neophenoxine. With a topological polar surface area (TPSA) of 21.7 Ų, Neophenoxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neophenoxine has 1 hydrogen bond donor(s) and 3 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 Neophenoxine?
The CAS number of Neophenoxine is 83514-04-9.
What is the molecular formula of Neophenoxine?
The molecular formula of Neophenoxine is C12H19Cl2NO2.
What is the molecular weight of Neophenoxine?
The molecular weight of Neophenoxine is 279.08 g/mol.
Where can I buy Neophenoxine?
You can request a quote for Neophenoxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neophenoxine?
Yes, KEHONG BIO provides custom synthesis services for Neophenoxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.