Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)
TL;DR: Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) (CAS 495-65-8) is a chemical compound with molecular formula C17H27ClFNO2 and molecular weight 331.17145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(dibutylamino)ethyl 4-fluorobenzoate;hydrochloride
Also Known As: Dibutylaminoethyl p-fluorobenzoate hydrochloride, Dibutylaminoethyl p-fluorobenzoate HCl, 2-(dibutylamino)ethyl 4-fluorobenzoate hydrochloride, 2-(dibutylamino)ethyl 4-fluorobenzoate hydrochloride(1:1), 2-(dibutylamino)ethyl 4-fluorobenzoate,hydrochloride
Technical Specifications
| Molecular Formula | C17H27ClFNO2 |
| Molecular Weight | 331.17145 g/mol |
| XLogP | 4.31 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 331.17145 Da |
| Heavy Atoms | 22 |
| Complexity | 270.0 |
| SMILES | CCCCN(CCCC)CCOC(=O)C1=CC=C(C=C1)F.Cl |
| InChIKey | CMWBRWHYPIGOMG-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) (CAS 495-65-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) (CAS 495-65-8) has the molecular formula C17H27ClFNO2 and a molecular weight of 331.17 g/mol. It is also known as Dibutylaminoethyl p-fluorobenzoate hydrochloride and Dibutylaminoethyl p-fluorobenzoate HCl.
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-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)
Property Insights of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)
The XLogP value of 4.31 indicates that Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Benzoic acid, 4-fluoro-, 2-(dibutylamino)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-(dibutylamino)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
What is the CAS number of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
The CAS number of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is 495-65-8.
What is the molecular formula of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
The molecular formula of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is C17H27ClFNO2.
What is the molecular weight of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
The molecular weight of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is 331.17145 g/mol.
What are the applications of Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) (CAS...
Where can I buy Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
You can request a quote for Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1)?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-fluoro-, 2-(dibutylamino)ethyl ester, hydrochloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.