Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride
TL;DR: Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 63916-81-4) is a chemical compound with molecular formula C13H18ClFINO2 and molecular weight 401.0055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-[2-(4-fluoro-3-iodobenzoyl)oxyethyl]azanium chloride
Also Known As: 2-Diethylaminoethyl 4-fluoro-3-iodobenzoate hydrochloride, diethyl-[2-(4-fluoro-3-iodobenzoyl)oxyethyl]azanium chloride, BENZOIC ACID, 4-FLUORO-3-IODO-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE, Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester
Technical Specifications
| Molecular Formula | C13H18ClFINO2 |
| Molecular Weight | 401.0055 g/mol |
| XLogP | -1.48 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 401.0055 Da |
| Heavy Atoms | 19 |
| Complexity | 261.0 |
| SMILES | CC[NH+](CC)CCOC(=O)C1=CC(=C(C=C1)F)I.[Cl-] |
| InChIKey | GFWHYXLNDSQZAF-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride (CAS 63916-81-4) has the molecular formula C13H18ClFINO2 and a molecular weight of 401.01 g/mol. Synonyms include 2-Diethylaminoethyl 4-fluoro-3-iodobenzoate hydrochloride and diethyl-[2-(4-fluoro-3-iodobenzoyl)oxyethyl]azanium chloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride
Property Insights of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride
The XLogP value of -1.48 indicates that Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride 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-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, 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
What is the CAS number of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
The CAS number of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride is 63916-81-4.
What is the molecular formula of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular formula of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride is C13H18ClFINO2.
What is the molecular weight of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
The molecular weight of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride is 401.0055 g/mol.
What are the applications of Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale),...
Where can I buy Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
You can request a quote for Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-fluoro-3-iodo-, 2-(diethylamino)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.