3-(Dipropylamino)propyl 4-fluorobenzoate
TL;DR: 3-(Dipropylamino)propyl 4-fluorobenzoate (CAS 399-14-4) is a chemical compound with molecular formula C16H24FNO2 and molecular weight 281.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dipropylamino)propyl 4-fluorobenzoate
Also Known As: 3-(dipropylamino)propyl 4-fluorobenzoate
| Molecular Formula | C16H24FNO2 |
|---|---|
| Molecular Weight | 281.18 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 281.1791 |
| Heavy Atoms | 20 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 399-14-4 |
|---|---|
| SMILES | CCCN(CCC)CCCOC(=O)C1=CC=C(C=C1)F |
| InChIKey | BJKDVQYYOPQRGF-UHFFFAOYSA-N |
Product Overview
3-(Dipropylamino)propyl 4-fluorobenzoate (CAS 399-14-4), with molecular formula C16H24FNO2 and molecular weight 281.18 g/mol. IUPAC: 3-(dipropylamino)propyl 4-fluorobenzoate.
Chemical Property Profile of 3-(Dipropylamino)propyl 4-fluorobenzoate
Property Insights of 3-(Dipropylamino)propyl 4-fluorobenzoate
The XLogP value of 4.8 indicates that 3-(Dipropylamino)propyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 3-(Dipropylamino)propyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Dipropylamino)propyl 4-fluorobenzoate has 0 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-(Dipropylamino)propyl 4-fluorobenzoate?
The CAS number of 3-(Dipropylamino)propyl 4-fluorobenzoate is 399-14-4.
What is the molecular formula of 3-(Dipropylamino)propyl 4-fluorobenzoate?
The molecular formula of 3-(Dipropylamino)propyl 4-fluorobenzoate is C16H24FNO2.
What is the molecular weight of 3-(Dipropylamino)propyl 4-fluorobenzoate?
The molecular weight of 3-(Dipropylamino)propyl 4-fluorobenzoate is 281.18 g/mol.
Where can I buy 3-(Dipropylamino)propyl 4-fluorobenzoate?
You can request a quote for 3-(Dipropylamino)propyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dipropylamino)propyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dipropylamino)propyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.