3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)
TL;DR: 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) (CAS 7582-97-0) is a chemical compound with molecular formula C14H21ClFNO2 and molecular weight 289.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-[3-(4-fluorobenzoyl)oxypropyl]azanium chloride
Also Known As: Diethylaminopropyl p-fluorobenzoate hydrochloride, diethyl-[3-(4-fluorobenzoyl)oxypropyl]azanium chloride, BENZOIC ACID, p-FLUORO-, DIETHYLAMINOPROPYL ESTER, HYDROCHLORIDE, 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1), Benzoic acid, p-fluoro-, 3-(diethylamino)propyl ester, hydrochloride
| Molecular Formula | C14H21ClFNO2 |
|---|---|
| Molecular Weight | 289.12 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 289.12448 |
| Heavy Atoms | 19 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 7582-97-0 |
|---|---|
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC=C(C=C1)F.[Cl-] |
| InChIKey | RAFOFNULGOAOFE-UHFFFAOYSA-N |
Product Overview
3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) (CAS 7582-97-0), with molecular formula C14H21ClFNO2 and molecular weight 289.12 g/mol. IUPAC: diethyl-[3-(4-fluorobenzoyl)oxypropyl]azanium chloride.
Chemical Property Profile of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)
Property Insights of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)
The XLogP value of -1.7 indicates that 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) 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, 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (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
Frequently Asked Questions
What is the CAS number of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)?
The CAS number of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) is 7582-97-0.
What is the molecular formula of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)?
The molecular formula of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) is C14H21ClFNO2.
What is the molecular weight of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)?
The molecular weight of 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) is 289.12 g/mol.
Where can I buy 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)?
You can request a quote for 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethylamino)propyl 4-fluorobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.