Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
TL;DR: Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 7613-23-2) is a chemical compound with molecular formula C13H19ClFNO2 and molecular weight 275.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[2-(4-fluorobenzoyl)oxyethyl]azanium chloride
Also Known As: Diethylaminoethyl p-fluorobenzoate hydrochloride, diethyl-[2-(4-fluorobenzoyl)oxyethyl]azanium chloride, diethyl-[2-(4-fluorobenzoyl)oxyethyl]azanium;chloride, BENZOIC ACID, p-FLUORO-, DIETHYLAMINOETHYL ESTER, HYDROCHLORIDE, Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride
| Molecular Formula | C13H19ClFNO2 |
|---|---|
| Molecular Weight | 275.11 g/mol |
| LogP | -2.09 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.10883 |
| Heavy Atoms | 18 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 7613-23-2 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)F.[Cl-] |
| InChIKey | QBYWYNUWUYGGHJ-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) (CAS 7613-23-2), with molecular formula C13H19ClFNO2 and molecular weight 275.11 g/mol. IUPAC: diethyl-[2-(4-fluorobenzoyl)oxyethyl]azanium chloride.
Chemical Property Profile of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
Property Insights of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
The XLogP value of -2.09 indicates that Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.7 Ų, Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) 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 Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The CAS number of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 7613-23-2.
What is the molecular formula of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is C13H19ClFNO2.
What is the molecular weight of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) is 275.11 g/mol.
Where can I buy Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-fluoro-, 2-(diethylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.