Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride
TL;DR: Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride (CAS 326-39-6) is a chemical compound with molecular formula C15H23ClFNO2 and molecular weight 303.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dipropylamino)ethyl 4-fluorobenzoate;hydrochloride
Also Known As: Dipropylaminoethyl p-fluorobenzoate hydrochloride, 2-(dipropylamino)ethyl 4-fluorobenzoate hydrochloride, p-Fluorobenzoic acid dipropylaminoethyl ester hydrochloride, BENZOIC ACID, p-FLUORO-, DIPROPYLAMINOETHYL ESTER, HYDROCHLORIDE, 2-(dipropylamino)ethyl 4-fluorobenzoate hydrochloride(1:1)
| Molecular Formula | C15H23ClFNO2 |
|---|---|
| Molecular Weight | 303.14 g/mol |
| LogP | 3.53 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 303.14014 |
| Heavy Atoms | 20 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 326-39-6 |
|---|---|
| SMILES | CCCN(CCC)CCOC(=O)C1=CC=C(C=C1)F.Cl |
| InChIKey | YKKJMROIHDNINT-UHFFFAOYSA-N |
Product Overview
Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride (CAS 326-39-6), with molecular formula C15H23ClFNO2 and molecular weight 303.14 g/mol. IUPAC: 2-(dipropylamino)ethyl 4-fluorobenzoate;hydrochloride.
Chemical Property Profile of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride
Property Insights of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride
The XLogP value of 3.53 indicates that Benzoic acid, p-fluoro-, dipropylaminoethyl 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-, dipropylaminoethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, p-fluoro-, dipropylaminoethyl 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
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride?
The CAS number of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride is 326-39-6.
What is the molecular formula of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride?
The molecular formula of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride is C15H23ClFNO2.
What is the molecular weight of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride?
The molecular weight of Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride is 303.14 g/mol.
Where can I buy Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride?
You can request a quote for Benzoic acid, p-fluoro-, dipropylaminoethyl 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, p-fluoro-, dipropylaminoethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, p-fluoro-, dipropylaminoethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.