Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
TL;DR: Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride (CAS 5710-76-9) is a chemical compound with molecular formula C16H25ClFNO3 and molecular weight 333.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxy-3-fluorobenzoyl)oxypropyl-diethylazanium chloride
Also Known As: 4-Ethoxy-3-fluorobenzoic acid 3-(diethylamino)propyl ester hydrochloride, BENZOIC ACID, 4-ETHOXY-3-FLUORO-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE, Fluoro-3 ethoxy-4 benzoate de gamma-diethylaminopropyle chlorhydrate [French], Fluoro-3 ethoxy-4 benzoate de gamma-diethylaminopropyle chlorhydrate, 3-(4-ethoxy-3-fluorobenzoyl)oxypropyl-diethylazanium chloride
| Molecular Formula | C16H25ClFNO3 |
|---|---|
| Molecular Weight | 333.15 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 333.1507 |
| Heavy Atoms | 22 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 5710-76-9 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC(=C(C=C1)OCC)F.[Cl-] |
| InChIKey | DLEAKGSSRFHHMV-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride (CAS 5710-76-9), with molecular formula C16H25ClFNO3 and molecular weight 333.15 g/mol. IUPAC: 3-(4-ethoxy-3-fluorobenzoyl)oxypropyl-diethylazanium chloride.
Chemical Property Profile of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
Property Insights of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
The XLogP value of -1.3 indicates that Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl 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, Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl 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 Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride?
The CAS number of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride is 5710-76-9.
What is the molecular formula of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular formula of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride is C16H25ClFNO3.
What is the molecular weight of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride?
The molecular weight of Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride is 333.15 g/mol.
Where can I buy Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride?
You can request a quote for Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride 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-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-ethoxy-3-fluoro-, 3-(diethylamino)propyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.