Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride
TL;DR: Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride (CAS 2249-32-3) is a chemical compound with molecular formula C12H17ClFNO3 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenoxy)acetyl]oxyethyl-dimethylazanium chloride
Also Known As: (p-Fluorophenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride, 2-[2-(4-fluorophenoxy)acetyl]oxyethyl-dimethylazanium chloride, 2-[2-(4-fluorophenoxy)acetyl]oxyethyl-dimethylazanium;chloride, ACETIC ACID, p-FLUOROPHENOXY-, 2-DIMETHYLAMINOETHYL ESTER, HYDROCHLORIDE, Acetic acid, (p-fluorophenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride
| Molecular Formula | C12H17ClFNO3 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | -3.1 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 277.0881 |
| Heavy Atoms | 18 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 2249-32-3 |
|---|---|
| SMILES | C[NH+](C)CCOC(=O)COC1=CC=C(C=C1)F.[Cl-] |
| InChIKey | JECMVFPDLRRCIS-UHFFFAOYSA-N |
Product Overview
Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride (CAS 2249-32-3), with molecular formula C12H17ClFNO3 and molecular weight 277.09 g/mol. IUPAC: 2-[2-(4-fluorophenoxy)acetyl]oxyethyl-dimethylazanium chloride.
Chemical Property Profile of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride
Property Insights of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride
The XLogP value of -3.1 indicates that Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride has 1 hydrogen bond donor(s) and 5 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 Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride?
The CAS number of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride is 2249-32-3.
What is the molecular formula of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride?
The molecular formula of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride is C12H17ClFNO3.
What is the molecular weight of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride?
The molecular weight of Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride is 277.09 g/mol.
Where can I buy Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride?
You can request a quote for Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, p-fluorophenoxy-, 2-dimethylaminoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.