Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride
TL;DR: Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride (CAS 451-61-6) is a chemical compound with molecular formula C16H25ClFNO2 and molecular weight 317.1558 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(dipropylamino)propyl 4-fluorobenzoate;hydrochloride
Also Known As: Dipropylaminopropyl p-fluorobenzoate hydrochloride, 3-(dipropylamino)propyl 4-fluorobenzoate hydrochloride, BENZOIC ACID, p-FLUORO-, DIPROPYLAMINOPROPYL ESTER, HYDROCHLORIDE, 3-(dipropylamino)propyl 4-fluorobenzoate hydrochloride(1:1), 3-(dipropylamino)propyl 4-fluorobenzoate,hydrochloride
Technical Specifications
| Molecular Formula | C16H25ClFNO2 |
| Molecular Weight | 317.1558 g/mol |
| XLogP | 3.92 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 317.1558 Da |
| Heavy Atoms | 21 |
| Complexity | 259.0 |
| SMILES | CCCN(CCC)CCCOC(=O)C1=CC=C(C=C1)F.Cl |
| InChIKey | CQPOSPLRVDQCTE-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride
Property Insights of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride
The XLogP value of 3.92 indicates that Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride 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, p-fluoro-, dipropylaminopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-fluoro-, dipropylaminopropyl 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, p-fluoro-, dipropylaminopropyl ester, hydrochloride?
The CAS number of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride is 451-61-6.
What is the molecular formula of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride is C16H25ClFNO2.
What is the molecular weight of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride is 317.1558 g/mol.
Where can I buy Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-fluoro-, dipropylaminopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.